Compile Data Set for Download or QSAR
Report error Found 40 Enz. Inhib. hit(s) with all data for entry = 50016415
TargetCathepsin S(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50546793(CHEMBL4792093)
Affinity DataKd:  9.60E+4nMAssay Description:Binding affinity to S2 pocket of full-length human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetWD repeat-containing protein 5(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50538305(CHEMBL4645862)
Affinity DataKd:  100nMAssay Description:Binding affinity towards N-terminal 6xHis-SUMO tagged human WDR5 (22 to 334 residues) measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetWD repeat-containing protein 5(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50137497(1-Cyclohexyl-1H-benzoimidazole-5-carboxylic acid |...)
Affinity DataKd: >2.00E+7nMAssay Description:Binding affinity towards N-terminal 6xHis-SUMO tagged human WDR5 (22 to 334 residues) measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA gyrase A/A/B/B tetramer(Escherichia coli (strain K12))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594763(CHEMBL5182050)
Affinity DataKd:  3.20E+4nMAssay Description:Inhibition of Escherichia coli DNA gyrase by isothermal titration calorimetry (ITC) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542127(CHEMBL4635482)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594760(CHEMBL5203044)
Affinity DataIC50: 1nMAssay Description:Inhibition of N-terminal GST-tagged human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetDNA gyrase A/A/B/B tetramer(Escherichia coli (strain K12))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50554229(CHEMBL4776589)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of Escherichia coli DNA gyrase by isothermal titration calorimetry (ITC) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of N-terminal 6His-tagged human BRD4 BD1 (49 to 170 residues) expressed in Escherichia coli BL21 (DE3) using biotin-labeled H4 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase PAK 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50555982(CHEMBL4758500)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of PAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542111(CHEMBL4644763)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594762(CHEMBL4638207)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMAP kinase-interacting serine/threonine-protein kinase 2(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50520279(CHEMBL4442209)
Affinity DataIC50: 14nMAssay Description:Inhibition of human MNK2 measured by Caliper-based biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMAP kinase-interacting serine/threonine-protein kinase 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50520279(CHEMBL4442209)
Affinity DataIC50: 14nMAssay Description:Inhibition of human MNK1 measured by Caliper-based biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetALK tyrosine kinase receptor(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594759(CHEMBL5198499)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human ALK (1058 to 1620 residues) expressed in baculovirus expression system using poly-(GT)-biotin as substrate preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 18nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNeuropeptides B/W receptor type 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50553728(CHEMBL4757321)
Affinity DataIC50: 30nMAssay Description:Negative allosteric modulation activity at NPBWR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetFatty acid-binding protein, adipocyte(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50538235(CHEMBL4632369)
Affinity DataIC50: 37nMAssay Description:Inhibition of FABP4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594760(CHEMBL5203044)
Affinity DataIC50: 100nMAssay Description:Inhibition of JAK1 in human STAT6-bla RA-1 cells assessed as reduction in IL-4 induced STAT6 phosphorylation preincubated for 1 hr followed by IL-4 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50543229(CHEMBL4637220)
Affinity DataIC50: 110nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50527797(CHEMBL4435863)
Affinity DataIC50: 310nMAssay Description:Inhibition of recombinant hexaHis-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by color...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBifunctional epoxide hydrolase 2(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50541959(CHEMBL4649188)
Affinity DataIC50: 320nMAssay Description:Inhibition of full-length human sEH (1 to 555 residues) expressed in Escherichia coli BL21 (DE3) using PHOME as substrate preincubated for 45 mins fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542099(CHEMBL4633319)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase PAK 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594757(CHEMBL5179545)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetLeukotriene A-4 hydrolase(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50541959(CHEMBL4649188)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of C-terminal Hexahistidine-tagged recombinant human LTAH4 expressed in Escherichia coli BL21 (DE3) using L-arginine-7-amino-4-methylcouma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50554503(CHEMBL1482091 | US11634391, Compound 29)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMAP kinase-interacting serine/threonine-protein kinase 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50520264(CHEMBL4527170)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human MNK1 measured by Caliper-based biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMAP kinase-interacting serine/threonine-protein kinase 2(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50520264(CHEMBL4527170)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human MNK2 measured by Caliper-based biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542098(CHEMBL4645167)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50539806(CHEMBL4633481)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of N-terminal GST-tagged human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50527573(CHEMBL4562592)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of N-terminal 6His-tagged human BRD4 BD1 (49 to 170 residues) expressed in Escherichia coli BL21 (DE3) using biotin-labeled H4 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542096(CHEMBL4637961)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50543206(CHEMBL4639980)
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetFatty acid-binding protein, adipocyte(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50337278(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of FABP4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProtein kinase C zeta type(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50542097(CHEMBL4633862)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50068107(CHEMBL3402237)
Affinity DataIC50: 7.90E+4nMAssay Description:Inhibition of full-length human sEH (1 to 555 residues) expressed in Escherichia coli BL21 (DE3) using PHOME as substrate preincubated for 45 mins fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594758(CHEMBL5189272)
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibition of recombinant human ALK (1058 to 1620 residues) expressed in baculovirus expression system using poly-(GT)-biotin as substrate preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetNeuropeptides B/W receptor type 1(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50553731(CHEMBL4781597)
Affinity DataIC50: 2.50E+5nMAssay Description:Negative allosteric modulation activity at NPBWR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50594761(CHEMBL4643118)
Affinity DataIC50: 1.70E+6nMAssay Description:Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50527799(CHEMBL2387748 | CHEBI:60704)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of recombinant hexaHis-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by color...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCathepsin S(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50546794(CHEMBL4777335)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of recombinant human cathepsin S using Z-VVR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed