Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50001033   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50268071 (CHEMBL4074717) Show SMILES Cl.Cl.CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ccc(cc1)C(O)=O)C(=O)CN Show InChI InChI=1S/C25H28N6O3/c1-29(23(32)14-26)17-18-3-2-4-20(13-18)21-15-27-25(28-16-21)31-11-9-30(10-12-31)22-7-5-19(6-8-22)24(33)34/h2-8,13,15-16H,9-12,14,17,26H2,1H3,(H,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM129007 (US8802679, 263) Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ccc(cc1Cl)C(O)=O)C(=O)CN Show InChI InChI=1S/C25H27ClN6O3/c1-30(23(33)13-27)16-17-3-2-4-18(11-17)20-14-28-25(29-15-20)32-9-7-31(8-10-32)22-6-5-19(24(34)35)12-21(22)26/h2-6,11-12,14-15H,7-10,13,16,27H2,1H3,(H,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50268068 (CHEMBL4068336) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C18H23N5O2/c1-22(13-17(19)24)12-14-3-2-4-15(9-14)16-10-20-18(21-11-16)23-5-7-25-8-6-23/h2-4,9-11H,5-8,12-13H2,1H3,(H2,19,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268071 (CHEMBL4074717) Show SMILES Cl.Cl.CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ccc(cc1)C(O)=O)C(=O)CN Show InChI InChI=1S/C25H28N6O3/c1-29(23(32)14-26)17-18-3-2-4-20(13-18)21-15-27-25(28-16-21)31-11-9-30(10-12-31)22-7-5-19(6-8-22)24(33)34/h2-8,13,15-16H,9-12,14,17,26H2,1H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM129007 (US8802679, 263) Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ccc(cc1Cl)C(O)=O)C(=O)CN Show InChI InChI=1S/C25H27ClN6O3/c1-30(23(33)13-27)16-17-3-2-4-18(11-17)20-14-28-25(29-15-20)32-9-7-31(8-10-32)22-6-5-19(24(34)35)12-21(22)26/h2-6,11-12,14-15H,7-10,13,16,27H2,1H3,(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268068 (CHEMBL4068336) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C18H23N5O2/c1-22(13-17(19)24)12-14-3-2-4-15(9-14)16-10-20-18(21-11-16)23-5-7-25-8-6-23/h2-4,9-11H,5-8,12-13H2,1H3,(H2,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50205316 (CHEMBL3923237) Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CN Show InChI InChI=1S/C20H25N3O2/c1-22(20(24)14-21)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-9-11-25-12-10-23/h2-8,13H,9-12,14-15,21H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50268072 (CHEMBL4096880) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1ccc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H24N4O2/c1-22(14-18(20)24)13-15-3-2-4-16(11-15)17-5-6-19(21-12-17)23-7-9-25-10-8-23/h2-6,11-12H,7-10,13-14H2,1H3,(H2,20,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268086 (CHEMBL4082458) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C21H29N5O2/c1-25(15-20(22)28)14-17-3-2-4-18(11-17)19-12-23-21(24-13-19)26-8-5-16(6-9-26)7-10-27/h2-4,11-13,16,27H,5-10,14-15H2,1H3,(H2,22,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268072 (CHEMBL4096880) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1ccc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H24N4O2/c1-22(14-18(20)24)13-15-3-2-4-16(11-15)17-5-6-19(21-12-17)23-7-9-25-10-8-23/h2-6,11-12H,7-10,13-14H2,1H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50268069 (CHEMBL4104606) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cncc(c1)-c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H24N4O2/c1-22(14-19(20)24)13-15-10-17(12-21-11-15)16-2-4-18(5-3-16)23-6-8-25-9-7-23/h2-5,10-12H,6-9,13-14H2,1H3,(H2,20,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268073 (CHEMBL4092744) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC(O)CC1 |r| Show InChI InChI=1S/C19H25N5O2/c1-23(13-18(20)26)12-14-3-2-4-15(9-14)16-10-21-19(22-11-16)24-7-5-17(25)6-8-24/h2-4,9-11,17,25H,5-8,12-13H2,1H3,(H2,20,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268070 (CHEMBL4101409) Show SMILES Cl.Cl.CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(CCC(O)=O)CC1)C(=O)CN Show InChI InChI=1S/C22H29N5O3/c1-26(20(28)12-23)15-17-3-2-4-18(11-17)19-13-24-22(25-14-19)27-9-7-16(8-10-27)5-6-21(29)30/h2-4,11,13-14,16H,5-10,12,15,23H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50268064 (CHEMBL4086699) Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C19H24N4O2/c1-22(14-19(20)24)13-16-3-2-4-18(21-16)15-5-7-17(8-6-15)23-9-11-25-12-10-23/h2-8H,9-14H2,1H3,(H2,20,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268066 (CHEMBL4071971) Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C19H25N5O2.2ClH/c1-23(12-18(20)26)11-14-4-2-5-15(8-14)16-9-21-19(22-10-16)24-7-3-6-17(24)13-25;;/h2,4-5,8-10,17,25H,3,6-7,11-13H2,1H3,(H2,20,26);2*1H/t17-;;/m0../s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268065 (CHEMBL4076388) Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCCCC1 Show InChI InChI=1S/C19H25N5O/c1-23(14-18(20)25)13-15-6-5-7-16(10-15)17-11-21-19(22-12-17)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H2,20,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268067 (CHEMBL4059576) Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C19H25N5O2.2ClH/c1-23(12-18(20)26)11-14-4-2-5-15(8-14)16-9-21-19(22-10-16)24-7-3-6-17(24)13-25;;/h2,4-5,8-10,17,25H,3,6-7,11-13H2,1H3,(H2,20,26);2*1H/t17-;;/m1../s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50205316 (CHEMBL3923237) Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CN Show InChI InChI=1S/C20H25N3O2/c1-22(20(24)14-21)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-9-11-25-12-10-23/h2-8,13H,9-12,14-15,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268069 (CHEMBL4104606) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cncc(c1)-c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H24N4O2/c1-22(14-19(20)24)13-15-10-17(12-21-11-15)16-2-4-18(5-3-16)23-6-8-25-9-7-23/h2-5,10-12H,6-9,13-14H2,1H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268062 (CHEMBL4100472) Show SMILES Cl.Cl.CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(CC1)C(O)=O)C(=O)CN Show InChI InChI=1S/C20H25N5O3/c1-24(18(26)10-21)13-14-3-2-4-16(9-14)17-11-22-20(23-12-17)25-7-5-15(6-8-25)19(27)28/h2-4,9,11-12,15H,5-8,10,13,21H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50268064 (CHEMBL4086699) Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C19H24N4O2/c1-22(14-19(20)24)13-16-3-2-4-18(21-16)15-5-7-17(8-6-15)23-9-11-25-12-10-23/h2-8H,9-14H2,1H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair