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Patent code US9951068

Compile Data Set for Download or QSAR

Found 213 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389869
PNG
(4-{5-[3-(2,4-Difluorophenyl)- 3H-imidazo[4,5-c]pyr...)
Show SMILES Fc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H17F2N5O/c22-15-2-3-18(16(23)11-15)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389878
PNG
(4-({4-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridi...)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H21ClN4O/c24-19-5-7-20(8-6-19)28-22-15-25-10-9-21(22)26-23(28)18-3-1-17(2-4-18)16-27-11-13-29-14-12-27/h1-10,15H,11-14,16H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389912
PNG
(5-[3-(4-Chloro-2-fluorophenyl)- 3H-imidazo[4,5-c]p...)
Show SMILES Fc1cc(Cl)ccc1-n1c(nc2ccncc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C20H16ClFN6/c21-14-3-4-17(15(22)9-14)28-18-12-23-6-5-16(18)26-19(28)13-10-24-20(25-11-13)27-7-1-2-8-27/h3-6,9-12H,1-2,7-8H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389914
PNG
(N-(1-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyrid...)
Show SMILES CC(=O)NC1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN6O/c1-16(32)28-19-9-12-30(13-10-19)23-7-2-17(14-27-23)24-29-21-8-11-26-15-22(21)31(24)20-5-3-18(25)4-6-20/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,28,32)
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389933
PNG
((2R,6S)-2,6-Dimethyl-4-{5-[3- (5-methylpyridin-2-y...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(C)cn1
Show InChI InChI=1S/C23H24N6O/c1-15-4-6-22(25-10-15)29-20-12-24-9-8-19(20)27-23(29)18-5-7-21(26-11-18)28-13-16(2)30-17(3)14-28/h4-12,16-17H,13-14H2,1-3H3/t16-,17+
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389944
PNG
(1-Cyclopropyl-4-[3-(4-fluorophenyl)-3H-imidazo[4,5...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1ccn(C2CC2)c(=O)c1
Show InChI InChI=1S/C20H15FN4O/c21-14-1-3-16(4-2-14)25-18-12-22-9-7-17(18)23-20(25)13-8-10-24(15-5-6-15)19(26)11-13/h1-4,7-12,15H,5-6H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389972
PNG
(4-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Cn1ccc(cc1=O)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClN3O/c1-22-9-7-14(11-19(22)24)17-10-13-6-8-21-12-18(13)23(17)16-4-2-15(20)3-5-16/h2-12H,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389978
PNG
(5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(NCC2CC2)nc1
Show InChI InChI=1S/C21H18ClN5/c22-17-3-5-18(6-4-17)27-19(9-15-7-8-23-13-20(15)27)16-11-25-21(26-12-16)24-10-14-1-2-14/h3-9,11-14H,1-2,10H2,(H,24,25,26)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389837
PNG
(N-(Cyclopropylmethyl)-5-[3-(4- fluorophenyl)-3H-im...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(NCC2CC2)nc1
Show InChI InChI=1S/C20H17FN6/c21-15-3-5-16(6-4-15)27-18-12-22-8-7-17(18)26-19(27)14-10-24-20(25-11-14)23-9-13-1-2-13/h3-8,10-13H,1-2,9H2,(H,23,24,25)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389884
PNG
(4-{5-[3-(4-Fluoro-2- methylphenyl)-3H-imidazo[4,5-...)
Show SMILES Cc1cc(F)ccc1-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H19FN6O/c1-14-10-16(22)2-3-18(14)28-19-13-23-5-4-17(19)26-20(28)15-11-24-21(25-12-15)27-6-8-29-9-7-27/h2-5,10-13H,6-9H2,1H3
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389918
PNG
(1-{5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyridin-...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6O2S/c1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-9,14-15H,10-13H2,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389962
PNG
(4-{5-[1-(4-Bromophenyl)-1H- pyrrolo[2,3-c]pyridin-...)
Show SMILES Brc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H18BrN5O/c22-17-1-3-18(4-2-17)27-19(11-15-5-6-23-14-20(15)27)16-12-24-21(25-13-16)26-7-9-28-10-8-26/h1-6,11-14H,7-10H2
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389974
PNG
(6-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Cn1c(cccc1=O)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClN3O/c1-22-16(3-2-4-19(22)24)17-11-13-9-10-21-12-18(13)23(17)15-7-5-14(20)6-8-15/h2-12H,1H3
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389871
PNG
(N-(2-Ethoxyethyl)-5-[3-(4- methylphenyl)-3H-imidaz...)
Show SMILES CCOCCNc1ncc(cn1)-c1nc2ccncc2n1-c1ccc(C)cc1
Show InChI InChI=1S/C21H22N6O/c1-3-28-11-10-23-21-24-12-16(13-25-21)20-26-18-8-9-22-14-19(18)27(20)17-6-4-15(2)5-7-17/h4-9,12-14H,3,10-11H2,1-2H3,(H,23,24,25)
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389875
PNG
(1-({4-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridi...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2nc3ccncc3n2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H24ClN5/c1-28-12-14-29(15-13-28)17-18-2-4-19(5-3-18)24-27-22-10-11-26-16-23(22)30(24)21-8-6-20(25)7-9-21/h2-11,16H,12-15,17H2,1H3
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389894
PNG
(4-{2-[6-(Morpholin-4-yl)pyridin- 3-yl]-3H-imidazo[...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H19N5O2/c27-17-4-2-16(3-5-17)26-19-14-22-8-7-18(19)24-21(26)15-1-6-20(23-13-15)25-9-11-28-12-10-25/h1-8,13-14,27H,9-12H2
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389836
PNG
(1-{5-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES NC1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN6/c23-16-2-4-18(5-3-16)29-20-14-25-10-7-19(20)27-22(29)15-1-6-21(26-13-15)28-11-8-17(24)9-12-28/h1-7,10,13-14,17H,8-9,11-12,24H2
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389898
PNG
(5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin-2-...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C20H17FN6/c21-15-3-5-16(6-4-15)27-18-13-22-8-7-17(18)25-19(27)14-11-23-20(24-12-14)26-9-1-2-10-26/h3-8,11-13H,1-2,9-10H2
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389899
PNG
(4-{5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES CC1CN(CCO1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5O/c1-15-14-27(10-11-29-15)21-7-2-16(12-25-21)22-26-19-8-9-24-13-20(19)28(22)18-5-3-17(23)4-6-18/h2-9,12-13,15H,10-11,14H2,1H3
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389913
PNG
(5-[3-(4-Chloro-2-fluorophenyl)- 3H-imidazo[4,5-c]p...)
Show SMILES CN(C)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H14ClFN6/c1-25(2)18-22-8-11(9-23-18)17-24-14-5-6-21-10-16(14)26(17)15-4-3-12(19)7-13(15)20/h3-10H,1-2H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389957
PNG
(4-{5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCNC(=O)C1
Show InChI InChI=1S/C21H17ClN6O/c22-16-1-3-17(4-2-16)28-18(9-14-5-6-23-12-19(14)28)15-10-25-21(26-11-15)27-8-7-24-20(29)13-27/h1-6,9-12H,7-8,13H2,(H,24,29)
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389865
PNG
(N-(3-Methoxypropyl)-5-[3-(4- methylphenyl)-3H-imid...)
Show SMILES COCCCNc1ncc(cn1)-c1nc2ccncc2n1-c1ccc(C)cc1
Show InChI InChI=1S/C21H22N6O/c1-15-4-6-17(7-5-15)27-19-14-22-10-8-18(19)26-20(27)16-12-24-21(25-13-16)23-9-3-11-28-2/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,23,24,25)
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389879
PNG
(1-{5-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C21H19ClN6/c22-16-2-4-17(5-3-16)28-19-14-24-8-7-18(19)26-21(28)15-1-6-20(25-13-15)27-11-9-23-10-12-27/h1-8,13-14,23H,9-12H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389890
PNG
(4-{5-[3-(2-Chloro-4- fluorophenyl)-3H-imidazo[4,5-...)
Show SMILES Fc1ccc(c(Cl)c1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H17ClFN5O/c22-16-11-15(23)2-3-18(16)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389832
PNG
(4-{6-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nn1)N1CCOCC1
Show InChI InChI=1S/C20H17ClN6O/c21-14-1-3-15(4-2-14)27-18-13-22-8-7-16(18)23-20(27)17-5-6-19(25-24-17)26-9-11-28-12-10-26/h1-8,13H,9-12H2
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389896
PNG
(4-{5-[3-(2-Fluoro-4- methylphenyl)-3H-imidazo[4,5-...)
Show SMILES Cc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H20FN5O/c1-15-2-4-19(17(23)12-15)28-20-14-24-7-6-18(20)26-22(28)16-3-5-21(25-13-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389904
PNG
(4-{5-[3-(5-Chloropyridin-2-yl)- 3H-imidazo[4,5-c]p...)
Show SMILES Clc1ccc(nc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C19H16ClN7O/c20-14-1-2-17(22-11-14)27-16-12-21-4-3-15(16)25-18(27)13-9-23-19(24-10-13)26-5-7-28-8-6-26/h1-4,9-12H,5-8H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389907
PNG
(4-{5-[3-(2,4-Difluorophenyl)- 3H-imidazo[4,5-c]pyr...)
Show SMILES Fc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H16F2N6O/c21-14-1-2-17(15(22)9-14)28-18-12-23-4-3-16(18)26-19(28)13-10-24-20(25-11-13)27-5-7-29-8-6-27/h1-4,9-12H,5-8H2
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389942
PNG
(5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-y...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(OC2CCOCC2)nc1
Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-20-14-24-10-7-19(20)26-22(27)15-1-6-21(25-13-15)29-18-8-11-28-12-9-18/h1-7,10,13-14,18H,8-9,11-12H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389947
PNG
((2R,6S)-2,6-Dimethyl-4-{5-[3- (6-methylpyridin-3-y...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(C)nc1
Show InChI InChI=1S/C22H23N7O/c1-14-4-5-18(10-24-14)29-20-11-23-7-6-19(20)27-21(29)17-8-25-22(26-9-17)28-12-15(2)30-16(3)13-28/h4-11,15-16H,12-13H2,1-3H3/t15-,16+
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389966
PNG
(5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES CN(C)c1ncc(cn1)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN5/c1-24(2)19-22-10-14(11-23-19)17-9-13-7-8-21-12-18(13)25(17)16-5-3-15(20)4-6-16/h3-12H,1-2H3
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389967
PNG
(4-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccn(C2CC2)c(=O)c1
Show InChI InChI=1S/C21H16ClN3O/c22-16-1-3-18(4-2-16)25-19(11-14-7-9-23-13-20(14)25)15-8-10-24(17-5-6-17)21(26)12-15/h1-4,7-13,17H,5-6H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389969
PNG
(4-({5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridi...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccc(CN2CCOCC2)nc1
Show InChI InChI=1S/C23H21ClN4O/c24-19-2-5-21(6-3-19)28-22(13-17-7-8-25-15-23(17)28)18-1-4-20(26-14-18)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389976
PNG
(4-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Nc1cc(ccn1)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN4/c19-14-1-3-15(4-2-14)23-16(13-6-8-22-18(20)10-13)9-12-5-7-21-11-17(12)23/h1-11H,(H2,20,22)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389839
PNG
(5-[3-(4-Chlorophenyl)-3H- imidazo[4,5-c]pyridin-2-...)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(NC2CCOCC2)nc1
Show InChI InChI=1S/C21H19ClN6O/c22-15-1-3-17(4-2-15)28-19-13-23-8-5-18(19)27-20(28)14-11-24-21(25-12-14)26-16-6-9-29-10-7-16/h1-5,8,11-13,16H,6-7,9-10H2,(H,24,25,26)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389850
PNG
(4-{5-[3-(4-Chloro-2- fluorophenyl)-3H-imidazo[4,5-...)
Show SMILES Cc1cc(ncc1-c1nc2ccncc2n1-c1ccc(Cl)cc1F)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O/c1-14-10-21(28-6-8-30-9-7-28)26-12-16(14)22-27-18-4-5-25-13-20(18)29(22)19-3-2-15(23)11-17(19)24/h2-5,10-13H,6-9H2,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389853
PNG
(4-{5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCCOCC1
Show InChI InChI=1S/C21H19FN6O/c22-16-2-4-17(5-3-16)28-19-14-23-7-6-18(19)26-20(28)15-12-24-21(25-13-15)27-8-1-10-29-11-9-27/h2-7,12-14H,1,8-11H2
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389855
PNG
(4-{5-[3-(4-Chloro-2- fluorophenyl)-3H-imidazo[4,5-...)
Show SMILES Cc1nc(ncc1-c1nc2ccncc2n1-c1ccc(Cl)cc1F)N1CCOCC1
Show InChI InChI=1S/C21H18ClFN6O/c1-13-15(11-25-21(26-13)28-6-8-30-9-7-28)20-27-17-4-5-24-12-19(17)29(20)18-3-2-14(22)10-16(18)23/h2-5,10-12H,6-9H2,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389910
PNG
(4-{5-[3-(5-Chloropyridin-2-yl)- 3H-imidazo[4,5-c]p...)
Show SMILES Clc1ccc(nc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H17ClN6O/c21-15-2-4-19(24-12-15)27-17-13-22-6-5-16(17)25-20(27)14-1-3-18(23-11-14)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389915
PNG
(1-(4-{5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyrid...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN6O/c1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19/h2-9,14-15H,10-13H2,1H3
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Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389919
PNG
(4-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-...)
Show SMILES NC(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN7O/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31/h1-8,13-14H,9-12H2,(H2,24,31)
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389928
PNG
(5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin-2-...)
Show SMILES Fc1ccc(cc1)-n1c(nc2ccncc12)-c1c[nH]c(cc1=O)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2/c22-14-1-3-15(4-2-14)27-18-13-23-6-5-17(18)25-21(27)16-12-24-20(11-19(16)28)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H,24,28)
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389958
PNG
(4-{5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin...)
Show SMILES Cc1cc(ncc1-c1cc2ccncc2n1-c1ccc(Cl)cc1)N1CCOCC1
Show InChI InChI=1S/C23H21ClN4O/c1-16-12-23(27-8-10-29-11-9-27)26-14-20(16)21-13-17-6-7-25-15-22(17)28(21)19-4-2-18(24)3-5-19/h2-7,12-15H,8-11H2,1H3
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389963
PNG
(5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Cn1nccc1-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClN4/c1-21-15(7-9-20-21)16-10-12-6-8-19-11-17(12)22(16)14-4-2-13(18)3-5-14/h2-11H,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389968
PNG
(5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(NC2CCOCC2)nc1
Show InChI InChI=1S/C22H20ClN5O/c23-17-1-3-19(4-2-17)28-20(11-15-5-8-24-14-21(15)28)16-12-25-22(26-13-16)27-18-6-9-29-10-7-18/h1-5,8,11-14,18H,6-7,9-10H2,(H,25,26,27)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389977
PNG
(3-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Fc1cncc(c1)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H11ClFN3/c19-14-1-3-16(4-2-14)23-17(13-7-15(20)10-22-9-13)8-12-5-6-21-11-18(12)23/h1-11H
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PROXIMAGEN LIMITED

US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389852
PNG
(4-{5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin...)
Show SMILES CC1(C)CN(CCO1)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6O/c1-22(2)14-28(9-10-30-22)21-25-11-15(12-26-21)20-27-18-7-8-24-13-19(18)29(20)17-5-3-16(23)4-6-17/h3-8,11-13H,9-10,14H2,1-2H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389916
PNG
(1-(4-{5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyrid...)
Show SMILES CC(=O)N1CCCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN6O/c1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20/h3-10,15-16H,2,11-14H2,1H3
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389950
PNG
(2-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccccn1
Show InChI InChI=1S/C18H12ClN3/c19-14-4-6-15(7-5-14)22-17(16-3-1-2-9-21-16)11-13-8-10-20-12-18(13)22/h1-12H
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM389955
PNG
(5-[1-(4-Chlorophenyl)-1H- pyrrolo[2,3-c]pyridin-2-...)
Show SMILES Cc1nc(C)c([nH]1)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN4/c1-11-18(22-12(2)21-11)16-9-13-7-8-20-10-17(13)23(16)15-5-3-14(19)4-6-15/h3-10H,1-2H3,(H,21,22)
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US Patent


Assay Description
SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhma...

US Patent US9951068 (2018)


BindingDB Entry DOI: 10.7270/Q2W0989F
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%