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Found 78 hits Enz. Inhib. hit(s) with Target = 'Vascular adhesion protein 1 (VAP-1)' AND taxid = 10116   
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)


(Rattus norvegicus (Rat))
BDBM50104436
PNG
(((E)-3-Benzo[1,3]dioxol-5-yl-allyl)-methyl-amine |...)
Show SMILES CNC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO2/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7,12H,6,8H2,1H3/b3-2+
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2.70E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM50104437
PNG
(CHEMBL312832 | [3-(3,4-Dimethoxy-phenyl)-prop-2-yn...)
Show SMILES COc1ccc(cc1OC)C#CCN(C)C
Show InChI InChI=1S/C13H17NO2/c1-14(2)9-5-6-11-7-8-12(15-3)13(10-11)16-4/h7-8,10H,9H2,1-4H3
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2.90E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM50104434
PNG
((3-Benzo[1,3]dioxol-5-yl-prop-2-ynyl)-dimethyl-ami...)
Show SMILES CN(C)CC#Cc1ccc2OCOc2c1
Show InChI InChI=1S/C12H13NO2/c1-13(2)7-3-4-10-5-6-11-12(8-10)15-9-14-11/h5-6,8H,7,9H2,1-2H3
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3.10E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM50285494
PNG
(C-[(Dimethyl-phenethyl-silanyl)]-methylamine | CHE...)
Show SMILES C[Si](C)(CN)CCc1ccccc1
Show InChI InChI=1S/C11H19NSi/c1-13(2,10-12)9-8-11-6-4-3-5-7-11/h3-7H,8-10,12H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


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


(Rattus norvegicus (Rat))
BDBM50104435
PNG
(4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...)
Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
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2.70E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM50285495
PNG
(C-[(Benzyl-dimethyl-silanyl)]-methylamine | CHEMBL...)
Show SMILES C[Si](C)(CN)Cc1ccccc1
Show InChI InChI=1S/C10H17NSi/c1-12(2,9-11)8-10-6-4-3-5-7-10/h3-7H,8-9,11H2,1-2H3
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


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


(Rattus norvegicus (Rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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9.00E+5n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)

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


(Rattus norvegicus (Rat))
BDBM50285496
PNG
(2-(Dimethyl-phenethyl-silanyl)-ethylamine; hydroch...)
Show SMILES Cl.C[Si](C)(CCN)CCc1ccccc1
Show InChI InChI=1S/C12H21NSi.ClH/c1-14(2,11-9-13)10-8-12-6-4-3-5-7-12;/h3-7H,8-11,13H2,1-2H3;1H
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1.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


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


(Rattus norvegicus (Rat))
BDBM50184850
PNG
(CHEMBL534938 | N'-[2-(4-fluorophenyl)allyl]-N-meth...)
Show SMILES CNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13-12-2)9-3-5-10(11)6-4-9/h3-6,12-13H,1,7H2,2H3
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n/an/a 1.70n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
BDBM50184849
PNG
(CHEMBL536057 | N'-(2-phenylallyl)hydrazine hydroch...)
Show SMILES NNCC(=C)c1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
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n/an/a 2n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
BDBM50184847
PNG
(CHEMBL538327 | N'-[2-(4-fluorophenyl)allyl]-N-ethy...)
Show SMILES CCNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2/c1-3-13-14-8-9(2)10-4-6-11(12)7-5-10/h4-7,13-14H,2-3,8H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
BDBM50184853
PNG
(CHEMBL536060 | N'-[2-(4-chlorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
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 3.60n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50184848
PNG
(CHEMBL553631 | N'-[2-(2-methylphenyl)allyl]hydrazi...)
Show SMILES Cc1ccccc1C(=C)CNN
Show InChI InChI=1S/C10H14N2/c1-8-5-3-4-6-10(8)9(2)7-12-11/h3-6,12H,2,7,11H2,1H3
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n/an/a 4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
BDBM50184843
PNG
(CHEMBL556769 | N'-[(E)-(2-phenyl-3-fluoroallyl)]hy...)
Show SMILES NNC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H11FN2/c10-6-9(7-12-11)8-4-2-1-3-5-8/h1-6,12H,7,11H2/b9-6-
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n/an/a 5n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
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 5.10n/an/an/an/an/an/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...


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


(Rattus norvegicus (Rat))
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 5.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
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n/an/a 6n/an/an/an/an/an/a



Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of rat CAO


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


(Rattus norvegicus (Rat))
BDBM50184844
PNG
(CHEMBL536059 | N'-[2-(4-fluorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 6.10n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


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


(Rattus norvegicus (Rat))
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 rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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 7.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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 9.80n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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 10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)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)
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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...


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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)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)
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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...


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


(Rattus norvegicus (Rat))
BDBM128998
PNG
(US8802679, 84)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(O)CC1)C(=O)CN
Show InChI InChI=1S/C19H25N5O2/c1-23(18(26)10-20)13-14-3-2-4-15(9-14)16-11-21-19(22-12-16)24-7-5-17(25)6-8-24/h2-4,9,11-12,17,25H,5-8,10,13,20H2,1H3
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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50435712
PNG
(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)
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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...


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


(Rattus norvegicus (Rat))
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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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...


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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM128997
PNG
(US8802679, 80)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C21H28N4O2/c1-15-12-25(13-16(2)27-15)20-8-7-19(11-23-20)18-6-4-5-17(9-18)14-24(3)21(26)10-22/h4-9,11,15-16H,10,12-14,22H2,1-3H3/t15-,16+
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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM129006
PNG
(US8802679, 261)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ccc(nc1)C#N)C(=O)CN
Show InChI InChI=1S/C24H26N8O/c1-30(23(33)13-26)17-18-3-2-4-19(11-18)20-14-28-24(29-15-20)32-9-7-31(8-10-32)22-6-5-21(12-25)27-16-22/h2-6,11,14-16H,7-10,13,17,26H2,1H3
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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
BDBM50433258
PNG
(CHEMBL2376166)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2sc(NC(C)=O)nc2CCc2ccc(cc2)N=C(N)N)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)
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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...


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


(Rattus norvegicus (Rat))
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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Astellas Pharma Inc.

US Patent


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


US Patent US8802679 (2014)

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


(Rattus norvegicus (Rat))
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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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...


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


(Rattus norvegicus (Rat))
BDBM50433261
PNG
(CHEMBL2376164)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)c(CCc2ccc(cc2)S(C)(=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)
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n/an/a 92n/an/an/an/an/an/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...


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Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
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 120n/an/an/an/an/an/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...


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


(Rattus norvegicus (Rat))
BDBM50435707
PNG
(CHEMBL2392120)
Show SMILES CC(=O)Nc1nc(CCc2ccc(cc2)-c2c[nH]c(N)n2)cs1
Show InChI InChI=1S/C16H17N5OS/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22)
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n/an/a 150n/an/an/an/an/an/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...


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


(Rattus norvegicus (Rat))
BDBM50184846
PNG
(CHEMBL540369 | N'-[2-(4-fluorophenyl)allyl]-N'-met...)
Show SMILES CN(N)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13(2)12)9-3-5-10(11)6-4-9/h3-6H,1,7,12H2,2H3
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n/an/a 240n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


Citation and Details
More data for this
Ligand-Target Pair
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