Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50000879   

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))	BDBM50262692 (CHEMBL4094310) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1ccc(OC2CN(C2)c2cccc(COC(=O)NC(N)=N)c2F)cn1 |r| Show InChI InChI=1S/C18H20FN5O3/c1-11-5-6-13(7-22-11)27-14-8-24(9-14)15-4-2-3-12(16(15)19)10-26-18(25)23-17(20)21/h2-7,14H,8-10H2,1H3,(H4,20,21,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation s...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262698 (CHEMBL4077021) Show SMILES Cl.NC(=N)NC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C17H19FN6O3/c18-14-11(10-27-17(25)23-15(19)20)2-1-3-13(14)12-8-21-16(22-9-12)24-4-6-26-7-5-24/h1-3,8-9H,4-7,10H2,(H4,19,20,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262737 (CHEMBL4087881) Show SMILES Cl.Cl.Cl.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H22N6O2/c19-17(20)22-18(25)26-13-14-2-1-3-16(12-14)24-10-8-23(9-11-24)15-4-6-21-7-5-15/h1-7,12H,8-11,13H2,(H4,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262739 (CHEMBL4068948) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F |r| Show InChI InChI=1S/C18H21FN6O2/c19-16-13(12-27-18(26)23-17(20)21)3-1-5-15(16)25-9-7-24(8-10-25)14-4-2-6-22-11-14/h1-6,11H,7-10,12H2,(H4,20,21,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262707 (CHEMBL4102044) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(N2CC(C2)Oc2cccnc2)c1F.NC(=N)NC(=O)OCc1cccc(N2CC(C2)Oc2cccnc2)c1F |r| Show InChI InChI=1S/C17H18FN5O3/c18-15-11(10-25-17(24)22-16(19)20)3-1-5-14(15)23-8-13(9-23)26-12-4-2-6-21-7-12/h1-7,13H,8-10H2,(H4,19,20,22,24)	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262692 (CHEMBL4094310) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1ccc(OC2CN(C2)c2cccc(COC(=O)NC(N)=N)c2F)cn1 |r| Show InChI InChI=1S/C18H20FN5O3/c1-11-5-6-13(7-22-11)27-14-8-24(9-14)15-4-2-3-12(16(15)19)10-26-18(25)23-17(20)21/h2-7,14H,8-10H2,1H3,(H4,20,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262704 (CHEMBL4098023) Show SMILES Cl.Cl.Cl.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)c1cccnc1 Show InChI InChI=1S/C18H22N6O2/c19-17(20)22-18(25)26-13-14-3-1-4-15(11-14)23-7-9-24(10-8-23)16-5-2-6-21-12-16/h1-6,11-12H,7-10,13H2,(H4,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM128993 (US8802679, 69) Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1)C(=O)CN Show InChI InChI=1S/C18H23N5O2/c1-22(17(24)10-19)13-14-3-2-4-15(9-14)16-11-20-18(21-12-16)23-5-7-25-8-6-23/h2-4,9,11-12H,5-8,10,13,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262708 (CHEMBL4077779) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1ncccc1OC1CN(C1)c1cccc(COC(=O)NC(N)=N)c1F |r| Show InChI InChI=1S/C18H20FN5O3/c1-11-15(6-3-7-22-11)27-13-8-24(9-13)14-5-2-4-12(16(14)19)10-26-18(25)23-17(20)21/h2-7,13H,8-10H2,1H3,(H4,20,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262706 (CHEMBL4095186) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(N2CCC(CC2)Oc2cccnc2)c1F |r| Show InChI InChI=1S/C19H22FN5O3/c20-17-13(12-27-19(26)24-18(21)22)3-1-5-16(17)25-9-6-14(7-10-25)28-15-4-2-8-23-11-15/h1-5,8,11,14H,6-7,9-10,12H2,(H4,21,22,24,26)	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262693 (CHEMBL4066376) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C17H20N6O3/c18-15(19)22-17(24)26-11-12-2-1-3-13(8-12)14-9-20-16(21-10-14)23-4-6-25-7-5-23/h1-3,8-10H,4-7,11H2,(H4,18,19,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262695 (CHEMBL4071187) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)Cc1cccc(CCc2cnc(nc2)N2CCOCC2)c1.NC(=N)NC(=O)Cc1cccc(CCc2cnc(nc2)N2CCOCC2)c1 |r| Show InChI InChI=1S/C19H24N6O2/c20-18(21)24-17(26)11-15-3-1-2-14(10-15)4-5-16-12-22-19(23-13-16)25-6-8-27-9-7-25/h1-3,10,12-13H,4-9,11H2,(H4,20,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262694 (CHEMBL4103619) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C17H20N6O2/c18-16(19)22-15(24)9-12-2-1-3-13(8-12)14-10-20-17(21-11-14)23-4-6-25-7-5-23/h1-3,8,10-11H,4-7,9H2,(H4,18,19,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262736 (CHEMBL4076616) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1ccc(F)c(c1F)-c1cnc(nc1)N1CCOCC1.NC(=N)NC(=O)OCc1ccc(F)c(c1F)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C17H18F2N6O3/c18-12-2-1-10(9-28-17(26)24-15(20)21)14(19)13(12)11-7-22-16(23-8-11)25-3-5-27-6-4-25/h1-2,7-8H,3-6,9H2,(H4,20,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262735 (CHEMBL4095865) Show SMILES Cl.Cl.NC(=N)NC(=O)OCc1ccc(F)c(c1)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C17H19FN6O3/c18-14-2-1-11(10-27-17(25)23-15(19)20)7-13(14)12-8-21-16(22-9-12)24-3-5-26-6-4-24/h1-2,7-9H,3-6,10H2,(H4,19,20,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262703 (CHEMBL4059565) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)C1CCOCC1 |r| Show InChI InChI=1S/C18H27N5O3/c19-17(20)21-18(24)26-13-14-2-1-3-16(12-14)23-8-6-22(7-9-23)15-4-10-25-11-5-15/h1-3,12,15H,4-11,13H2,(H4,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262705 (CHEMBL4079999) Show SMILES Cl.Cl.Cl.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C18H22N6O2/c19-17(20)22-18(25)26-13-14-4-3-5-15(12-14)23-8-10-24(11-9-23)16-6-1-2-7-21-16/h1-7,12H,8-11,13H2,(H4,19,20,22,25)	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262702 (CHEMBL4060583) Show SMILES Cl.Cl.Cl.NC(=N)NC(=O)OCc1cccc(c1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C18H27N5O3/c19-17(20)21-18(24)26-13-14-2-1-3-16(12-14)22-6-4-15(5-7-22)23-8-10-25-11-9-23/h1-3,12,15H,4-11,13H2,(H4,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 human VAP-1 expressed in CHO cells preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262701 (CHEMBL4082470) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1nc(ncc1-c1cccc(COC(=O)NC(N)=N)c1F)N1CCOCC1 |r| Show InChI InChI=1S/C18H21FN6O3/c1-11-14(9-22-17(23-11)25-5-7-27-8-6-25)13-4-2-3-12(15(13)19)10-28-18(26)24-16(20)21/h2-4,9H,5-8,10H2,1H3,(H4,20,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262699 (CHEMBL4064461) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1c(COC(=O)NC(N)=N)cccc1-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C18H22N6O3/c1-12-13(11-27-18(25)23-16(19)20)3-2-4-15(12)14-9-21-17(22-10-14)24-5-7-26-8-6-24/h2-4,9-10H,5-8,11H2,1H3,(H4,19,20,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262709 (CHEMBL4093809) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1)C(=O)NC(N)=N |r| Show InChI InChI=1S/C18H23N7O2/c1-24(18(26)23-16(19)20)12-13-3-2-4-14(9-13)15-10-21-17(22-11-15)25-5-7-27-8-6-25/h2-4,9-11H,5-8,12H2,1H3,(H4,19,20,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262700 (CHEMBL4097484) Show SMILES Cl.Cl.NC(=N)NC(=O)OCc1cccc(c1Cl)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C17H19ClN6O3/c18-14-11(10-27-17(25)23-15(19)20)2-1-3-13(14)12-8-21-16(22-9-12)24-4-6-26-7-5-24/h1-3,8-9H,4-7,10H2,(H4,19,20,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262697 (CHEMBL4088140) Show SMILES Cl.Cl.NC(=N)Nc1ccc(CCc2cnc(nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C17H22N6O/c18-16(19)22-15-5-3-13(4-6-15)1-2-14-11-20-17(21-12-14)23-7-9-24-10-8-23/h3-6,11-12H,1-2,7-10H2,(H4,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262710 (CHEMBL4083367) Show SMILES Cl.Cl.NC(=N)NCCc1cccc(CCc2cnc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C19H26N6O/c20-18(21)22-7-6-16-3-1-2-15(12-16)4-5-17-13-23-19(24-14-17)25-8-10-26-11-9-25/h1-3,12-14H,4-11H2,(H4,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50262696 (CHEMBL4066854) Show SMILES Cl.Cl.NC(=N)Nc1cccc(CCc2cnc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C17H22N6O/c18-16(19)22-15-3-1-2-13(10-15)4-5-14-11-20-17(21-12-14)23-6-8-24-9-7-23/h1-3,10-12H,4-9H2,(H4,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
					More data for this Ligand-Target Pair