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Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: O08590   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
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)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
More data for this
Ligand-Target Pair