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Found 235 hits Enz. Inhib. hit(s) with Target = 'Vascular adhesion protein 1 (VAP-1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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1.61E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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1.64E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128988
PNG
(US8802679, 19)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(\C=C\C(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H31N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-7,12-13,15-17H,8-11,14,18,28H2,1-2H3,(H,36,37)/b7-6+
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n/an/a 6.90n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129004
PNG
(US8802679, 191)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(=CC1)c1cccnc1)C(=O)CN
Show InChI InChI=1S/C24H26N6O/c1-29(23(31)13-25)17-18-4-2-5-20(12-18)22-15-27-24(28-16-22)30-10-7-19(8-11-30)21-6-3-9-26-14-21/h2-7,9,12,14-16H,8,10-11,13,17,25H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128992
PNG
(US8802679, 66)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(CCC(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H33N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-5,12-13,15-17H,6-11,14,18,28H2,1-2H3,(H,36,37)
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n/an/a 9.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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n/an/a 10n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129000
PNG
(US8802679, 95)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN
Show InChI InChI=1S/C21H22N6O/c1-26(20(28)9-22)12-15-4-2-5-16(8-15)18-10-24-21(25-11-18)27-13-17-6-3-7-23-19(17)14-27/h2-8,10-11H,9,12-14,22H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129005
PNG
(US8802679, 216)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCS(=O)(=O)CC1)C(=O)CN
Show InChI InChI=1S/C18H23N5O3S/c1-22(17(24)10-19)13-14-3-2-4-15(9-14)16-11-20-18(21-12-16)23-5-7-27(25,26)8-6-23/h2-4,9,11-12H,5-8,10,13,19H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128989
PNG
(US8802679, 32)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(cc1Cl)C(O)=O)C(=O)CN
Show InChI InChI=1S/C24H26ClN7O3/c1-30(21(33)11-26)15-16-3-2-4-17(9-16)19-13-28-24(29-14-19)32-7-5-31(6-8-32)22-20(25)10-18(12-27-22)23(34)35/h2-4,9-10,12-14H,5-8,11,15,26H2,1H3,(H,34,35)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128999
PNG
(US8802679, 91)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1cccnc1C)C(=O)CN
Show InChI InChI=1S/C24H29N7O/c1-18-22(7-4-8-26-18)30-9-11-31(12-10-30)24-27-15-21(16-28-24)20-6-3-5-19(13-20)17-29(2)23(32)14-25/h3-8,13,15-16H,9-12,14,17,25H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50435711
PNG
(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)
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n/an/a 19n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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n/an/a 19.9n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50433257
PNG
(CHEMBL2376160 | CHEMBL2376161)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)c(Cc2ccc(cc2)S(C)(=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)
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n/an/a 20n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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n/an/a 20n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384095
PNG
(CHEMBL2029534)
Show SMILES CSc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNOS/c1-15-11-4-2-10(3-5-11)14-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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n/an/a 20n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 20n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161134
PNG
(4-(aminomethyl)-N-ethyl-5-[ethyl(methyl)-lambda~5~...)
Show SMILES CCNc1cncc(N(C)CC)c1CN
Show InChI InChI=1S/C11H20N4/c1-4-14-10-7-13-8-11(9(10)6-12)15(3)5-2/h7-8,14H,4-6,12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50021573
PNG
(CHEBI:81771 | CHEMBL1489913)
Show SMILES O=c1ccc(=O)[nH][nH]1
Show InChI InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
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n/an/a 20n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human VAP1


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129001
PNG
(US8802679, 102)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCc2nc(C)sc2C1)C(=O)CN
Show InChI InChI=1S/C21H24N6OS/c1-14-25-18-6-7-27(13-19(18)29-14)21-23-10-17(11-24-21)16-5-3-4-15(8-16)12-26(2)20(28)9-22/h3-5,8,10-11H,6-7,9,12-13,22H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129003
PNG
(US8802679, 190)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(CC1)c1cccnc1)C(=O)CN
Show InChI InChI=1S/C24H28N6O/c1-29(23(31)13-25)17-18-4-2-5-20(12-18)22-15-27-24(28-16-22)30-10-7-19(8-11-30)21-6-3-9-26-14-21/h2-6,9,12,14-16,19H,7-8,10-11,13,17,25H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129007
PNG
(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)
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416827
PNG
(CHEMBL1241119)
Show SMILES COc1ccc(cc1)C(O)CNN
Show InChI InChI=1S/C9H14N2O2/c1-13-8-4-2-7(3-5-8)9(12)6-11-10/h2-5,9,11-12H,6,10H2,1H3
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n/an/a 28.8n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128990
PNG
(US8802679, 33)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(\C=C\C(O)=O)cc1Cl)C(=O)CN
Show InChI InChI=1S/C26H28ClN7O3/c1-32(23(35)13-28)17-19-3-2-4-20(11-19)21-15-30-26(31-16-21)34-9-7-33(8-10-34)25-22(27)12-18(14-29-25)5-6-24(36)37/h2-6,11-12,14-16H,7-10,13,17,28H2,1H3,(H,36,37)/b6-5+
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n/an/a 31n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128993
PNG
(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
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n/an/a 32n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128986
PNG
(US8802679, 3)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncccc1C)C(=O)CN
Show InChI InChI=1S/C24H29N7O/c1-18-5-4-8-26-23(18)30-9-11-31(12-10-30)24-27-15-21(16-28-24)20-7-3-6-19(13-20)17-29(2)22(32)14-25/h3-8,13,15-16H,9-12,14,17,25H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103940
PNG
(US8569338, 7 | US9035066, 7)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1
Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)
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n/an/a 34n/an/an/an/an/an/a



Proximagen Ltd.

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. The enzyme activity was measured with benzylamine as...


US Patent US8569338 (2013)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50433266
PNG
(CHEMBL2376169)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)c(s1)-c1ccc(cc1)S(C)(=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)
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n/an/a 34n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103940
PNG
(US8569338, 7 | US9035066, 7)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1
Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)
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n/an/a 34n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either cr...


US Patent US9035066 (2015)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50433263
PNG
(CHEMBL2376162)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)c(Cc2cccc(c2)S(C)(=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)
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n/an/a 36n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50341609
PNG
((R)-2-Hydrazino-1-phenylethanol | CHEMBL1766380)
Show SMILES NNC[C@H](O)c1ccccc1
Show InChI InChI=1S/C8H12N2O/c9-10-6-8(11)7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384100
PNG
(CHEMBL2029539)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+
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n/an/a 40n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384086
PNG
(CHEMBL2029548)
Show SMILES CC(NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103941
PNG
(US8569338, 14 | US9035066, 14)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOc1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,19,20)
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n/an/a 48n/an/an/an/an/an/a



Proximagen Ltd.

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. The enzyme activity was measured with benzylamine as...


US Patent US8569338 (2013)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128991
PNG
(US8802679, 51)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(CC1)N1CCOCC1)C(=O)CN
Show InChI InChI=1S/C23H32N6O2/c1-27(22(30)14-24)17-18-3-2-4-19(13-18)20-15-25-23(26-16-20)29-7-5-21(6-8-29)28-9-11-31-12-10-28/h2-4,13,15-16,21H,5-12,14,17,24H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103941
PNG
(US8569338, 14 | US9035066, 14)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOc1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,19,20)
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n/an/a 48n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either cr...


US Patent US9035066 (2015)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128994
PNG
(US8802679, 75)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCCC1)C(=O)CN
Show InChI InChI=1S/C18H23N5O/c1-22(17(24)10-19)13-14-5-4-6-15(9-14)16-11-20-18(21-12-16)23-7-2-3-8-23/h4-6,9,11-12H,2-3,7-8,10,13,19H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128987
PNG
(US8802679, 16)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CC[C@H](F)C1)C(=O)CN
Show InChI InChI=1S/C18H22FN5O/c1-23(17(25)8-20)11-13-3-2-4-14(7-13)15-9-21-18(22-10-15)24-6-5-16(19)12-24/h2-4,7,9-10,16H,5-6,8,11-12,20H2,1H3/t16-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416804
PNG
(CHEMBL1241071)
Show SMILES COc1cccc(c1)C(O)CNN
Show InChI InChI=1S/C9H14N2O2/c1-13-8-4-2-3-7(5-8)9(12)6-11-10/h2-5,9,11-12H,6,10H2,1H3
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n/an/a 52.5n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50433259
PNG
(CHEMBL2375367)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)c(Cc2ccc(cc2)S(N)(=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)
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n/an/a 53n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416818
PNG
(CHEMBL1241428)
Show SMILES CC(CNN)c1ccccc1
Show InChI InChI=1S/C9H14N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3
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n/an/a 58.9n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416811
PNG
(CHEMBL1240954)
Show SMILES COc1ccc(CCN(C)N)cc1
Show InChI InChI=1S/C10H16N2O/c1-12(11)8-7-9-3-5-10(13-2)6-4-9/h3-6H,7-8,11H2,1-2H3
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n/an/a 60.3n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128995
PNG
(US8802679, 78)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(cn1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C20H27N5O2/c1-14-11-25(12-15(2)27-14)20-22-9-18(10-23-20)17-6-4-5-16(7-17)13-24(3)19(26)8-21/h4-7,9-10,14-15H,8,11-13,21H2,1-3H3/t14-,15+
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n/an/a 61n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50341609
PNG
((R)-2-Hydrazino-1-phenylethanol | CHEMBL1766380)
Show SMILES NNC[C@H](O)c1ccccc1
Show InChI InChI=1S/C8H12N2O/c9-10-6-8(11)7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1
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n/an/a 64.6n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128996
PNG
(US8802679, 79)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCOC(CO)C1)C(=O)CN
Show InChI InChI=1S/C19H25N5O3/c1-23(18(26)8-20)11-14-3-2-4-15(7-14)16-9-21-19(22-10-16)24-5-6-27-17(12-24)13-25/h2-4,7,9-10,17,25H,5-6,8,11-13,20H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384098
PNG
(CHEMBL2029537)
Show SMILES NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H11FN2O3/c11-8(5-6-12)7-16-10-3-1-9(2-4-10)13(14)15/h1-5H,6-7,12H2/b8-5+
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n/an/a 70n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416813
PNG
(CHEMBL1240910)
Show SMILES CN(N)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C9H13ClN2/c1-12(11)7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,11H2,1H3
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n/an/a 70.8n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129002
PNG
(US8802679, 147)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncccc1Cl)C(=O)CN
Show InChI InChI=1S/C23H26ClN7O/c1-29(21(32)13-25)16-17-4-2-5-18(12-17)19-14-27-23(28-15-19)31-10-8-30(9-11-31)22-20(24)6-3-7-26-22/h2-7,12,14-15H,8-11,13,16,25H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50416807
PNG
(CHEMBL1241004)
Show SMILES CCN(N)CCc1ccc(OC)cc1
Show InChI InChI=1S/C11H18N2O/c1-3-13(12)9-8-10-4-6-11(14-2)7-5-10/h4-7H,3,8-9,12H2,1-2H3
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n/an/a 79.4n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
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