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PubMed code 25701250

Compile data set for download or QSAR
Found 32 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))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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16n/an/an/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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18n/an/an/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063523
PNG
(CHEMBL3398530)
Show SMILES COc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3O/c1-22-13-4-2-10(3-5-13)17-16(18)14-6-11(8-19)12(9-20)7-15(14)21-17/h2-7,21H,1H3
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n/an/a 4n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM86779
PNG
(Phthalonitrile analogue, 4h)
Show SMILES Brc1ccc(COc2ccc(C#N)c(c2)C#N)cc1
Show InChI InChI=1S/C15H9BrN2O/c16-14-4-1-11(2-5-14)10-19-15-6-3-12(8-17)13(7-15)9-18/h1-7H,10H2
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n/an/a 4.80n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86779
PNG
(Phthalonitrile analogue, 4h)
Show SMILES Brc1ccc(COc2ccc(C#N)c(c2)C#N)cc1
Show InChI InChI=1S/C15H9BrN2O/c16-14-4-1-11(2-5-14)10-19-15-6-3-12(8-17)13(7-15)9-18/h1-7H,10H2
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n/an/a 6.60n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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n/an/a 14n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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n/an/a 17n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063523
PNG
(CHEMBL3398530)
Show SMILES COc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3O/c1-22-13-4-2-10(3-5-13)17-16(18)14-6-11(8-19)12(9-20)7-15(14)21-17/h2-7,21H,1H3
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n/an/a 20n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063517
PNG
(CHEMBL3398524)
Show SMILES Cn1c(-c2cccs2)c(Cl)c2cc(C#N)c(cc12)C#N
Show InChI InChI=1S/C15H8ClN3S/c1-19-12-6-10(8-18)9(7-17)5-11(12)14(16)15(19)13-3-2-4-20-13/h2-6H,1H3
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n/an/a 35n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
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



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063521
PNG
(CHEMBL3398532)
Show SMILES Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1cccs1
Show InChI InChI=1S/C14H6ClN3S/c15-13-10-4-8(6-16)9(7-17)5-11(10)18-14(13)12-2-1-3-19-12/h1-5,18H
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n/an/a 118n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063524
PNG
(CHEMBL3398529)
Show SMILES Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C16H8ClN3/c17-15-13-6-11(8-18)12(9-19)7-14(13)20-16(15)10-4-2-1-3-5-10/h1-7,20H
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n/an/a 121n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063519
PNG
(CHEMBL3398522)
Show SMILES COc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
Show InChI InChI=1S/C18H12ClN3O/c1-22-16-8-13(10-21)12(9-20)7-15(16)17(19)18(22)11-3-5-14(23-2)6-4-11/h3-8H,1-2H3
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n/an/a 129n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063520
PNG
(CHEMBL3398533)
Show SMILES Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C17H10ClN3/c1-21-15-8-13(10-20)12(9-19)7-14(15)16(18)17(21)11-5-3-2-4-6-11/h2-8H,1H3
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n/an/a 142n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063524
PNG
(CHEMBL3398529)
Show SMILES Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C16H8ClN3/c17-15-13-6-11(8-18)12(9-19)7-14(13)20-16(15)10-4-2-1-3-5-10/h1-7,20H
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n/an/a 144n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86776
PNG
(Phthalonitrile analogue, 4e)
Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+
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n/an/a 399n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM86776
PNG
(Phthalonitrile analogue, 4e)
Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+
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n/an/a 642n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063515
PNG
(CHEMBL3398526)
Show SMILES COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H10BrN3O2/c1-23-13-4-2-10(3-5-13)17-16(18)14-6-11(8-19)12(9-20)7-15(14)21(17)22/h2-7,22H,1H3
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n/an/a 726n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063521
PNG
(CHEMBL3398532)
Show SMILES Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1cccs1
Show InChI InChI=1S/C14H6ClN3S/c15-13-10-4-8(6-16)9(7-17)5-11(10)18-14(13)12-2-1-3-19-12/h1-5,18H
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n/an/a 1.27E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063515
PNG
(CHEMBL3398526)
Show SMILES COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H10BrN3O2/c1-23-13-4-2-10(3-5-13)17-16(18)14-6-11(8-19)12(9-20)7-15(14)21(17)22/h2-7,22H,1H3
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n/an/a 1.52E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063526
PNG
(CHEMBL3398527)
Show SMILES Cc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H10BrN3O/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21(17)22/h2-7,22H,1H3
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n/an/a 2.19E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063526
PNG
(CHEMBL3398527)
Show SMILES Cc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H10BrN3O/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21(17)22/h2-7,22H,1H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063516
PNG
(CHEMBL3398525)
Show SMILES On1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C16H8BrN3O/c17-15-13-6-11(8-18)12(9-19)7-14(13)20(21)16(15)10-4-2-1-3-5-10/h1-7,21H
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n/an/a 3.48E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 3.92E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063516
PNG
(CHEMBL3398525)
Show SMILES On1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C16H8BrN3O/c17-15-13-6-11(8-18)12(9-19)7-14(13)20(21)16(15)10-4-2-1-3-5-10/h1-7,21H
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n/an/a 1.19E+4n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063518
PNG
(CHEMBL3398523)
Show SMILES Cc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
Show InChI InChI=1S/C18H12ClN3/c1-11-3-5-12(6-4-11)18-17(19)15-7-13(9-20)14(10-21)8-16(15)22(18)2/h3-8H,1-2H3
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n/an/a 1.94E+4n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063525
PNG
(CHEMBL3398528)
Show SMILES COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1OC)C#N
Show InChI InChI=1S/C18H12BrN3O2/c1-23-14-5-3-11(4-6-14)18-17(19)15-7-12(9-20)13(10-21)8-16(15)22(18)24-2/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063520
PNG
(CHEMBL3398533)
Show SMILES Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C17H10ClN3/c1-21-15-8-13(10-20)12(9-19)7-14(15)16(18)17(21)11-5-3-2-4-6-11/h2-8H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063525
PNG
(CHEMBL3398528)
Show SMILES COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1OC)C#N
Show InChI InChI=1S/C18H12BrN3O2/c1-23-14-5-3-11(4-6-14)18-17(19)15-7-12(9-20)13(10-21)8-16(15)22(18)24-2/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063518
PNG
(CHEMBL3398523)
Show SMILES Cc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
Show InChI InChI=1S/C18H12ClN3/c1-11-3-5-12(6-4-11)18-17(19)15-7-13(9-20)14(10-21)8-16(15)22(18)2/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063517
PNG
(CHEMBL3398524)
Show SMILES Cn1c(-c2cccs2)c(Cl)c2cc(C#N)c(cc12)C#N
Show InChI InChI=1S/C15H8ClN3S/c1-19-12-6-10(8-18)9(7-17)5-11(12)14(16)15(19)13-3-2-4-20-13/h2-6H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063519
PNG
(CHEMBL3398522)
Show SMILES COc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
Show InChI InChI=1S/C18H12ClN3O/c1-22-16-8-13(10-21)12(9-20)7-15(16)17(19)18(22)11-3-5-14(23-2)6-4-11/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%