Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'nagashima' and Initial = 'a'   

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 (Homo sapiens (Human))	BDBM220866 (US11472769, Compound BI-1467335-(PXS-4728A) | US93...) Show SMILES CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1 Show InChI InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VAP-1 using benzylamine as substrate incubated for 30 mins followed by substrate addition measured every 2.5 mins for...				Bioorg Med Chem 25: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50435711 (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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay 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...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
					More data for this Ligand-Target Pair
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 (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 (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 (Rattus norvegicus (Rat))	BDBM50427008 (CHEMBL2326864) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 1219-33 (2013) Article DOI: 10.1016/j.bmc.2012.12.025 BindingDB Entry DOI: 10.7270/Q2K64KDW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50427008 (CHEMBL2326864) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay 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...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
					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 (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 (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 (Rattus norvegicus (Rat))	BDBM50435712 (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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay 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...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50433263 (CHEMBL2376162) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2cccc(c2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(11-8-15-6-9-17(10-7-15)26-21(23)24)20(31-22)13-16-4-3-5-18(12-16)32(2,29)30/h3-7,9-10,12H,8,11,13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50435711 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay 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...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50205269 (CHEMBL3919913) Show SMILES Cl.NCC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C15H16N2O/c16-10-15(18)17-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9H,10-11,16H2,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. 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: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					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))	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))	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 (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))	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))	BDBM50433266 (CHEMBL2376169) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(s1)-c1ccc(cc1)S([#6])(=O)=O Show InChI InChI=1S/C21H23N5O3S2/c1-13(27)24-21-26-18(12-5-14-3-8-16(9-4-14)25-20(22)23)19(30-21)15-6-10-17(11-7-15)31(2,28)29/h3-4,6-11H,5,12H2,1-2H3,(H4,22,23,25)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50433263 (CHEMBL2376162) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2cccc(c2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(11-8-15-6-9-17(10-7-15)26-21(23)24)20(31-22)13-16-4-3-5-18(12-16)32(2,29)30/h3-7,9-10,12H,8,11,13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					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
Astellas Pharma Inc. 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: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					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))	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))	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))	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 (Rattus norvegicus (Rat))	BDBM50433258 (CHEMBL2376166) Show SMILES [#6]-[#7](-[#6])S(=O)(=O)c1ccc(-[#6]-c2sc(-[#7]-[#6](-[#6])=O)nc2-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C23H28N6O3S2/c1-15(30)26-23-28-20(13-8-16-4-9-18(10-5-16)27-22(24)25)21(33-23)14-17-6-11-19(12-7-17)34(31,32)29(2)3/h4-7,9-12H,8,13-14H2,1-3H3,(H4,24,25,27)(H,26,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50205318 (CHEMBL3894903) Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CN Show InChI InChI=1S/C16H17ClN2O/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13/h2-9H,10-11,18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. 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: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50433259 (CHEMBL2375367) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#7])(=O)=O)s1 Show InChI InChI=1S/C21H24N6O3S2/c1-13(28)25-21-27-18(11-6-14-2-7-16(8-3-14)26-20(22)23)19(31-21)12-15-4-9-17(10-5-15)32(24,29)30/h2-5,7-10H,6,11-12H2,1H3,(H4,22,23,26)(H2,24,29,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					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))	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 (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 (Rattus norvegicus (Rat))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					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))	BDBM50205302 (CHEMBL3964548) Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(NC(=O)N2CCOCC2)cc1)C(=O)CN Show InChI InChI=1S/C21H26N4O3/c1-24(20(26)14-22)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-21(27)25-9-11-28-12-10-25/h2-8,13H,9-12,14-15,22H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. 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: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50433261 (CHEMBL2376164) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C23H27N5O3S2/c1-15(29)26-23-28-20(13-7-16-3-9-18(10-4-16)27-22(24)25)21(32-23)14-8-17-5-11-19(12-6-17)33(2,30)31/h3-6,9-12H,7-8,13-14H2,1-2H3,(H4,24,25,27)(H,26,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					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 (Rattus norvegicus (Rat))	BDBM50433259 (CHEMBL2375367) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#7])(=O)=O)s1 Show InChI InChI=1S/C21H24N6O3S2/c1-13(28)25-21-27-18(11-6-14-2-7-16(8-3-14)26-20(22)23)19(31-21)12-15-4-9-17(10-5-15)32(24,29)30/h2-5,7-10H,6,11-12H2,1H3,(H4,22,23,26)(H2,24,29,30)(H,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50205273 (CHEMBL3948293) Show SMILES CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN Show InChI InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. 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: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					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 (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

Displayed 1 to 50 (of 164 total )  |  Next  |  Last  >>

Jump to: