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PubMed code 23122934

Compile data set for download or QSAR
Found 44 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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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9.80n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Morrison equation analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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13n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402328
PNG
(CHEMBL2206095)
Show SMILES Cn1c(SCCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17F3N4O2S/c1-22-12-13(23(2)16(26)24(3)14(12)25)21-15(22)27-8-7-10-5-4-6-11(9-10)17(18,19)20/h4-6,9H,7-8H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402333
PNG
(CHEMBL2206090)
Show SMILES Cn1c(SCCc2ccc(cc2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17F3N4O2S/c1-22-12-13(23(2)16(26)24(3)14(12)25)21-15(22)27-9-8-10-4-6-11(7-5-10)17(18,19)20/h4-7H,8-9H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402335
PNG
(CHEMBL2206108)
Show SMILES Cn1c(SCCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402331
PNG
(CHEMBL2206092)
Show SMILES COc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-10-9-11-5-7-12(24-4)8-6-11/h5-8H,9-10H2,1-4H3
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n/an/a 23n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402329
PNG
(CHEMBL2206094)
Show SMILES Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402330
PNG
(CHEMBL2206093)
Show SMILES Cn1c(SCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
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n/an/a 43n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402327
PNG
(CHEMBL2206096)
Show SMILES Cc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O2S/c1-11-6-5-7-12(10-11)8-9-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-7,10H,8-9H2,1-4H3
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n/an/a 51n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402320
PNG
(CHEMBL2206103)
Show SMILES Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-10-4-5-11-6-8-12(18)9-7-11/h6-9H,4-5,10H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402319
PNG
(CHEMBL2206104)
Show SMILES Cn1c(SCCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-9-5-7-11-6-4-8-12(18)10-11/h4,6,8,10H,5,7,9H2,1-3H3
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n/an/a 62n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402334
PNG
(CHEMBL2206089)
Show SMILES Cn1c(SCCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17FN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 71n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402332
PNG
(CHEMBL2206091)
Show SMILES Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O2S/c1-11-5-7-12(8-6-11)9-10-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-8H,9-10H2,1-4H3
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n/an/a 72n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 91n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402326
PNG
(CHEMBL2206097)
Show SMILES COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-9-8-11-6-5-7-12(10-11)24-4/h5-7,10H,8-9H2,1-4H3
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n/an/a 125n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402317
PNG
(CHEMBL2206106)
Show SMILES Cn1c(SCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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n/an/a 199n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402318
PNG
(CHEMBL2206105)
Show SMILES Cn1c(SCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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n/an/a 227n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50359572
PNG
(CHEMBL1927667)
Show SMILES Cn1c(SCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2S/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
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n/an/a 271n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402324
PNG
(CHEMBL2206099)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Br)cc1
Show InChI InChI=1/C16H17BrN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 471n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402321
PNG
(CHEMBL2206102)
Show SMILES Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)24-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402320
PNG
(CHEMBL2206103)
Show SMILES Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-10-4-5-11-6-8-12(18)9-7-11/h6-9H,4-5,10H2,1-3H3
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n/an/a 708n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402325
PNG
(CHEMBL2206098)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1/C16H17ClN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 781n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402323
PNG
(CHEMBL2206100)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(F)cc1
Show InChI InChI=1/C16H17FN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402319
PNG
(CHEMBL2206104)
Show SMILES Cn1c(SCCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-9-5-7-11-6-4-8-12(18)10-11/h4,6,8,10H,5,7,9H2,1-3H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402330
PNG
(CHEMBL2206093)
Show SMILES Cn1c(SCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
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n/an/a 5.66E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402329
PNG
(CHEMBL2206094)
Show SMILES Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402318
PNG
(CHEMBL2206105)
Show SMILES Cn1c(SCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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n/an/a 6.43E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402321
PNG
(CHEMBL2206102)
Show SMILES Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)24-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
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n/an/a 6.48E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 8.46E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402327
PNG
(CHEMBL2206096)
Show SMILES Cc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O2S/c1-11-6-5-7-12(10-11)8-9-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-7,10H,8-9H2,1-4H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402334
PNG
(CHEMBL2206089)
Show SMILES Cn1c(SCCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17FN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50359572
PNG
(CHEMBL1927667)
Show SMILES Cn1c(SCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2S/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
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n/an/a 1.87E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402317
PNG
(CHEMBL2206106)
Show SMILES Cn1c(SCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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n/an/a 3.79E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402326
PNG
(CHEMBL2206097)
Show SMILES COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-9-8-11-6-5-7-12(10-11)24-4/h5-7,10H,8-9H2,1-4H3
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n/an/a 4.81E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402324
PNG
(CHEMBL2206099)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Br)cc1
Show InChI InChI=1/C16H17BrN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 5.73E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402335
PNG
(CHEMBL2206108)
Show SMILES Cn1c(SCCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402332
PNG
(CHEMBL2206091)
Show SMILES Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O2S/c1-11-5-7-12(8-6-11)9-10-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-8H,9-10H2,1-4H3
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n/an/a 1.25E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402322
PNG
(CHEMBL2206101)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)Cc1ccccc1
Show InChI InChI=1/C15H16N4O3S/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)23(22)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
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n/an/a 1.31E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402328
PNG
(CHEMBL2206095)
Show SMILES Cn1c(SCCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17F3N4O2S/c1-22-12-13(23(2)16(26)24(3)14(12)25)21-15(22)27-8-7-10-5-4-6-11(9-10)17(18,19)20/h4-6,9H,7-8H2,1-3H3
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n/an/a 1.41E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402331
PNG
(CHEMBL2206092)
Show SMILES COc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-10-9-11-5-7-12(24-4)8-6-11/h5-8H,9-10H2,1-4H3
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n/an/a 1.68E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402325
PNG
(CHEMBL2206098)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1/C16H17ClN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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n/an/a 2.03E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402323
PNG
(CHEMBL2206100)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(F)cc1
Show InChI InChI=1/C16H17FN4O3S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25(24)9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.39E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50402322
PNG
(CHEMBL2206101)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)Cc1ccccc1
Show InChI InChI=1/C15H16N4O3S/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)23(22)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%