BDBM7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90
SMILES c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
InChI Key InChIKey=KZNIFHPLKGYRTM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 170 hits for monomerid = 7458
Affinity DataIC50: 1.70E+3nMpH: 7.0 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+3nMpH: 7.0 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
Lawrence Berkeley National Laboratory
Lawrence Berkeley National Laboratory
Affinity DataIC50: 4.00E+3nMpH: 7.0 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMT: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
Affinity DataIC50: 653nMAssay Description:The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the T...More data for this Ligand-Target Pair
Affinity DataIC50: 940nMpH: 7.0 T: 2°CAssay Description:The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...More data for this Ligand-Target Pair
Affinity DataEC50: 4.95E+4nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
Affinity DataIC50: 1.43E+4nMT: 2°CAssay Description:The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+3nMT: 2°CAssay Description:The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...More data for this Ligand-Target Pair
Affinity DataIC50: 2.13E+4nMpH: 7.45 T: 2°CAssay Description:Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.More data for this Ligand-Target Pair
Affinity DataIC50: 1.64E+4nMpH: 7.45 T: 2°CAssay Description:Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.More data for this Ligand-Target Pair
Affinity DataIC50: 653nMAssay Description:The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.96E+3nMAssay Description:The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...More data for this Ligand-Target Pair
Affinity DataIC50: 5.40E+4nMpH: 7.4 T: 2°CAssay Description:The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 6.0Assay Description:PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...More data for this Ligand-Target Pair
Affinity DataIC50: 6.43E+4nMpH: 8.0 T: 2°CAssay Description:Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...More data for this Ligand-Target Pair
Affinity DataIC50: 2.80E+5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
Affinity DataIC50: 2.81E+5nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Affinity DataIC50: 653nMAssay Description:Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 bin...More data for this Ligand-Target Pair
TargetHomeobox protein Nkx-2.5/Transcription factor GATA-4(Mouse)
University of Helsinki
Curated by ChEMBL
University of Helsinki
Curated by ChEMBL
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase repor...More data for this Ligand-Target Pair
Affinity DataIC50: 360nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addit...More data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
Affinity DataIC50: 1.12E+3nMAssay Description:Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
Affinity DataIC50: 3.57E+3nMAssay Description:Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed b...More data for this Ligand-Target Pair
Affinity DataKd: 4.16E+4nMAssay Description:Binding affinity myocilin-OLF domain (unknown origin) by SRP assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric methodMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Human)
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
Affinity DataIC50: 4.61E+4nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...More data for this Ligand-Target Pair
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+4nMAssay Description:Binding affinity for estrogen receptor, by competition with [3H]estradiolMore data for this Ligand-Target Pair
TargetPyruvate kinase PKM(Human)
National Institute of Pharmaceutical Education and Research Ahmedabad
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research Ahmedabad
Curated by ChEMBL
Affinity DataIC50: 990nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 660nMAssay Description:Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.89E+4nMAssay Description:Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4.57E+4nMAssay Description:Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4.43E+5nMAssay Description:Inhibition of HIV1 recombinant reverse transcriptase p66/p51 expressed in Escherichia coliMore data for this Ligand-Target Pair
Affinity DataIC50: 3.70E+5nMAssay Description:Inhibition of ovine COX1 by colorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.70E+5nMAssay Description:Inhibition of ovine COX2 by colorimetric assayMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Universidad De Buenos Aires
Curated by ChEMBL
Universidad De Buenos Aires
Curated by ChEMBL
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Universidad De Buenos Aires
Curated by ChEMBL
Universidad De Buenos Aires
Curated by ChEMBL
Affinity DataIC50: 3.14E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.81E+5nMAssay Description:Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Homo sapiens (human) cyclin-dependent kinase 6More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Competitive inhibition of Helicobacter pylori Ddl using ATP as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.63E+5nMAssay Description:Competitive inhibition of Escherichia coli DdlB using ATP as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 2.89E+4nMAssay Description:inhibition of Influenza A virus H3N2 neuraminidaseMore data for this Ligand-Target Pair
Affinity DataIC50: 3.85E+4nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assayMore data for this Ligand-Target Pair
TargetUrease subunit beta(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Jishou University
Curated by ChEMBL
Jishou University
Curated by ChEMBL
Affinity DataIC50: 1.38E+5nMAssay Description:Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol methodMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 7458
ITC DataΔG°: -6.66kcal/mole −TΔS°: -5.38kcal/mole ΔH°: -1.28kcal/mole logk: 6.45E+4
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C

3D Structure (crystal)