Compile Data Set for Download or QSAR
Found 40 Enz. Inhib. hit(s) with all data for entry = 50043080
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435711(CHEMBL2392121)
Show SMILES CC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50427008(CHEMBL2326864)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
Affinity DataIC50: 14nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435712(CHEMBL2390968)
Show SMILES CC(=O)Nc1nc(CCc2ccc(CCc3cnc(N)[nH]3)cc2)cs1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24)
Affinity DataIC50: 18nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435711(CHEMBL2392121)
Show SMILES CC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23)
Affinity DataIC50: 19nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435707(CHEMBL2392120)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)-c2c[nH]c(N)n2)cs1
Show InChI InChI=1S/C16H17N5OS/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22)
Affinity DataIC50: 150nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50427008(CHEMBL2326864)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
Affinity DataIC50: 230nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435706(CHEMBL2392118)
Show SMILES Nc1ncc(Cc2ccccc2)[nH]1
Show InChI InChI=1S/C10H11N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
Affinity DataIC50: 420nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM7960(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435710(CHEMBL2392117)
Show SMILES Cc1cccc2[nH]c(N)nc12
Show InChI InChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435712(CHEMBL2390968)
Show SMILES CC(=O)Nc1nc(CCc2ccc(CCc3cnc(N)[nH]3)cc2)cs1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM7960(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435709(CHEMBL2392119)
Show SMILES Nc1ncc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C11H13N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435708(CHEMBL2392116)
Show SMILES Cc1ccc2nc(N)[nH]c2c1
Show InChI InChI=1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435707(CHEMBL2392120)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)-c2c[nH]c(N)n2)cs1
Show InChI InChI=1S/C16H17N5OS/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435706(CHEMBL2392118)
Show SMILES Nc1ncc(Cc2ccccc2)[nH]1
Show InChI InChI=1S/C10H11N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435705(CHEMBL1649757)
Show SMILES Nc1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H9N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435716(CHEMBL2392114)
Show SMILES Nc1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H8N2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,9H2
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435716(CHEMBL2392114)
Show SMILES Nc1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H8N2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,9H2
Affinity DataIC50: 7.40E+4nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50053620(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES NC(N)=Nc1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
Affinity DataIC50: 7.80E+4nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM14319(1-methyl-1H-1,3-benzodiazol-2-amine | Fragment 16)
Show SMILES Cn1c(N)nc2ccccc12
Show InChI InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50316608(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435715(CHEMBL1204384)
Show SMILES C1CN=C(Nc2ccccc2)N1
Show InChI InChI=1S/C9H11N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2,(H2,10,11,12)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50010741(1-Phenyl-imidazolidin-2-ylideneamine; hydrobromide...)
Show SMILES NC1=NCCN1c1ccccc1
Show InChI InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50154585(CHEMBL187951 | Quinazolin-2-ylamine)
Show SMILES Nc1ncc2ccccc2n1
Show InChI InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435715(CHEMBL1204384)
Show SMILES C1CN=C(Nc2ccccc2)N1
Show InChI InChI=1S/C9H11N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2,(H2,10,11,12)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50010741(1-Phenyl-imidazolidin-2-ylideneamine; hydrobromide...)
Show SMILES NC1=NCCN1c1ccccc1
Show InChI InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50154585(CHEMBL187951 | Quinazolin-2-ylamine)
Show SMILES Nc1ncc2ccccc2n1
Show InChI InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50335100(1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...)
Show SMILES Nc1nc2ccccc2s1
Show InChI InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50053620(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES NC(N)=Nc1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50404889(CHEMBL303714)
Show SMILES NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50316608(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM14319(1-methyl-1H-1,3-benzodiazol-2-amine | Fragment 16)
Show SMILES Cn1c(N)nc2ccccc12
Show InChI InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435708(CHEMBL2392116)
Show SMILES Cc1ccc2nc(N)[nH]c2c1
Show InChI InChI=1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435710(CHEMBL2392117)
Show SMILES Cc1cccc2[nH]c(N)nc12
Show InChI InChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435705(CHEMBL1649757)
Show SMILES Nc1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H9N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50335100(1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...)
Show SMILES Nc1nc2ccccc2s1
Show InChI InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Rattus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50404889(CHEMBL303714)
Show SMILES NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetMembrane primary amine oxidase(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50435709(CHEMBL2392119)
Show SMILES Nc1ncc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C11H13N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair