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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'kabanova' and Initial = 'mv'   
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))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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))
BDBM50501004
PNG
(CHEMBL3799747)
Show SMILES COc1ccc(cc1)-c1c(C=O)c2cc(C#N)c(cc2n1OC)C#N
Show InChI InChI=1S/C19H13N3O3/c1-24-15-5-3-12(4-6-15)19-17(11-23)16-7-13(9-20)14(10-21)8-18(16)22(19)25-2/h3-8,11H,1-2H3
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n/an/a 147n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501010
PNG
(CHEMBL3799006)
Show SMILES Clc1c([nH]c2cc3C(=O)NC(=O)c3cc12)-c1ccccc1
Show InChI InChI=1S/C16H9ClN2O2/c17-13-11-6-9-10(16(21)19-15(9)20)7-12(11)18-14(13)8-4-2-1-3-5-8/h1-7,18H,(H,19,20,21)
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n/an/a 250n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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] A


(Homo sapiens (Human))
BDBM50501001
PNG
(CHEMBL3799754)
Show SMILES COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
Show InChI InChI=1S/C19H13N3O2/c1-12-3-5-13(6-4-12)19-17(11-23)16-7-14(9-20)15(10-21)8-18(16)22(19)24-2/h3-8,11H,1-2H3
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n/an/a 405n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501025
PNG
(CHEMBL3797374)
Show SMILES COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C18H11N3O2/c1-23-21-17-8-14(10-20)13(9-19)7-15(17)16(11-22)18(21)12-5-3-2-4-6-12/h2-8,11H,1H3
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n/an/a 522n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50501018
PNG
(CHEMBL3799699)
Show SMILES COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C18H14N2O3/c1-10-3-5-11(6-4-10)15-8-12-7-13-14(18(22)19-17(13)21)9-16(12)20(15)23-2/h3-9H,1-2H3,(H,19,21,22)
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n/an/a 581n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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))
BDBM50501020
PNG
(CHEMBL3799798)
Show SMILES COc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O6/c1-25-11-4-2-9(3-5-11)15(20)7-10-6-12-13(8-14(10)19(23)24)17(22)18-16(12)21/h2-6,8H,7H2,1H3,(H,18,21,22)
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n/an/a 661n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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))
BDBM50501022
PNG
(CHEMBL3800008)
Show SMILES Cc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H11N3O/c1-11-2-4-12(5-3-11)16-7-13-6-14(9-18)15(10-19)8-17(13)20(16)21/h2-8,21H,1H3
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n/an/a 821n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50501028
PNG
(CHEMBL3798677)
Show SMILES Cc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O5/c1-9-2-4-10(5-3-9)15(20)7-11-6-12-13(8-14(11)19(23)24)17(22)18-16(12)21/h2-6,8H,7H2,1H3,(H,18,21,22)
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n/an/a 923n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501016
PNG
(CHEMBL3797506)
Show SMILES COc1ccc(cc1)-c1c(CO)c2cc(C#N)c(cc2n1OC)C#N
Show InChI InChI=1S/C19H15N3O3/c1-24-15-5-3-12(4-6-15)19-17(11-23)16-7-13(9-20)14(10-21)8-18(16)22(19)25-2/h3-8,23H,11H2,1-2H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501022
PNG
(CHEMBL3800008)
Show SMILES Cc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H11N3O/c1-11-2-4-12(5-3-11)16-7-13-6-14(9-18)15(10-19)8-17(13)20(16)21/h2-8,21H,1H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501012
PNG
(CHEMBL3797838)
Show SMILES Cc1ccc(cc1)-c1cc2cc3C(=O)NC(=O)c3cc2n1O
Show InChI InChI=1S/C17H12N2O3/c1-9-2-4-10(5-3-9)14-7-11-6-12-13(8-15(11)19(14)22)17(21)18-16(12)20/h2-8,22H,1H3,(H,18,20,21)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50501020
PNG
(CHEMBL3799798)
Show SMILES COc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O6/c1-25-11-4-2-9(3-5-11)15(20)7-10-6-12-13(8-14(10)19(23)24)17(22)18-16(12)21/h2-6,8H,7H2,1H3,(H,18,21,22)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50500998
PNG
(CHEMBL3797384)
Show SMILES COn1c(cc2cc3C(=O)N(C)C(=O)c3cc12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O3/c1-19-17(21)13-8-12-9-15(11-6-4-3-5-7-11)20(23-2)16(12)10-14(13)18(19)22/h3-10H,1-2H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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))
BDBM50501018
PNG
(CHEMBL3799699)
Show SMILES COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C18H14N2O3/c1-10-3-5-11(6-4-10)15-8-12-7-13-14(18(22)19-17(13)21)9-16(12)20(15)23-2/h3-9H,1-2H3,(H,19,21,22)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50501006
PNG
(CHEMBL3797630)
Show SMILES COc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H11N3O2/c1-22-15-4-2-11(3-5-15)16-7-12-6-13(9-18)14(10-19)8-17(12)20(16)21/h2-8,21H,1H3
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n/an/a 1.79E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501006
PNG
(CHEMBL3797630)
Show SMILES COc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
Show InChI InChI=1S/C17H11N3O2/c1-22-15-4-2-11(3-5-15)16-7-12-6-13(9-18)14(10-19)8-17(12)20(16)21/h2-8,21H,1H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50501021
PNG
(CHEMBL3800320)
Show SMILES CC(=O)On1c(cc2cc(C#N)c(cc12)C#N)-c1cccs1
Show InChI InChI=1S/C16H9N3O2S/c1-10(20)21-19-14-7-13(9-18)12(8-17)5-11(14)6-15(19)16-3-2-4-22-16/h2-7H,1H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501021
PNG
(CHEMBL3800320)
Show SMILES CC(=O)On1c(cc2cc(C#N)c(cc12)C#N)-c1cccs1
Show InChI InChI=1S/C16H9N3O2S/c1-10(20)21-19-14-7-13(9-18)12(8-17)5-11(14)6-15(19)16-3-2-4-22-16/h2-7H,1H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501028
PNG
(CHEMBL3798677)
Show SMILES Cc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O5/c1-9-2-4-10(5-3-9)15(20)7-11-6-12-13(8-14(11)19(23)24)17(22)18-16(12)21/h2-6,8H,7H2,1H3,(H,18,21,22)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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] B


(Homo sapiens (Human))
BDBM50501011
PNG
(CHEMBL3800292)
Show SMILES COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1cccs1
Show InChI InChI=1S/C15H10N2O3S/c1-20-17-11-7-10-9(14(18)16-15(10)19)5-8(11)6-12(17)13-3-2-4-21-13/h2-7H,1H3,(H,16,18,19)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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 using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
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] A


(Homo sapiens (Human))
BDBM50501015
PNG
(CHEMBL3800179)
Show SMILES COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-23-21-17-8-14(10-20)13(9-19)7-15(17)16(11-22)18(21)12-5-3-2-4-6-12/h2-8,22H,11H2,1H3
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n/an/a 4.99E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501026
PNG
(CHEMBL3800329)
Show SMILES COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
Show InChI InChI=1S/C19H15N3O2/c1-12-3-5-13(6-4-12)19-17(11-23)16-7-14(9-20)15(10-21)8-18(16)22(19)24-2/h3-8,23H,11H2,1-2H3
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n/an/a 5.12E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50501019
PNG
(CHEMBL3797878)
Show SMILES [O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c1ccccc1
Show InChI InChI=1S/C16H10N2O5/c19-14(9-4-2-1-3-5-9)7-10-6-11-12(8-13(10)18(22)23)16(21)17-15(11)20/h1-6,8H,7H2,(H,17,20,21)
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n/an/a 5.38E+3n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 26: 2214-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.060
BindingDB Entry DOI: 10.7270/Q2QC06JK
More data for this
Ligand-Target Pair
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