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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50005812   
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))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494669
PNG
(CHEMBL2396876)
Show SMILES COc1ccc2OCC(\C=C\C(=O)c3ccccc3OC)=Cc2c1 |c:21|
Show InChI InChI=1S/C20H18O4/c1-22-16-8-10-19-15(12-16)11-14(13-24-19)7-9-18(21)17-5-3-4-6-20(17)23-2/h3-12H,13H2,1-2H3/b9-7+
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n/an/a 320n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29142
PNG
(substituted chalcone, 5i)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C16H13ClO3/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,19H,1H3/b9-4+
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n/an/a 4.37E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29134
PNG
(substituted chalcone, 5m)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,17,19H/b8-3+
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n/an/a 5.13E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341666
PNG
((E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one ...)
Show SMILES CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C18H17NO2/c1-19(2)15-9-7-13(8-10-15)11-14-12-21-17-6-4-3-5-16(17)18(14)20/h3-11H,12H2,1-2H3/b14-11+
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n/an/a 8.51E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341670
PNG
((E)-5,7-dihydroxy-3-(4-hydroxybenzylidene)chroman-...)
Show SMILES Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
Show InChI InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
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n/an/a 8.71E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494669
PNG
(CHEMBL2396876)
Show SMILES COc1ccc2OCC(\C=C\C(=O)c3ccccc3OC)=Cc2c1 |c:21|
Show InChI InChI=1S/C20H18O4/c1-22-16-8-10-19-15(12-16)11-14(13-24-19)7-9-18(21)17-5-3-4-6-20(17)23-2/h3-12H,13H2,1-2H3/b9-7+
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n/an/a 1.37E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494668
PNG
(CHEMBL2396879)
Show SMILES COc1cc(OC)cc(c1)C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:15|
Show InChI InChI=1S/C20H17BrO4/c1-23-17-9-14(10-18(11-17)24-2)19(22)5-3-13-7-15-8-16(21)4-6-20(15)25-12-13/h3-11H,12H2,1-2H3/b5-3+
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n/an/a 1.67E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494671
PNG
(CHEMBL2396880)
Show SMILES COc1ccc2OCC(=Cc2c1)C(=O)\C=C\c1cc(OC)cc(OC)c1 |c:8|
Show InChI InChI=1S/C21H20O5/c1-23-17-5-7-21-15(11-17)10-16(13-26-21)20(22)6-4-14-8-18(24-2)12-19(9-14)25-3/h4-12H,13H2,1-3H3/b6-4+
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n/an/a 1.83E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29145
PNG
(substituted chalcone, 5l)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,17H/b10-3+
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n/an/a 3.09E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494670
PNG
(CHEMBL2396877)
Show SMILES COc1cccc(c1)C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:13|
Show InChI InChI=1S/C19H15BrO3/c1-22-17-4-2-3-14(11-17)18(21)7-5-13-9-15-10-16(20)6-8-19(15)23-12-13/h2-11H,12H2,1H3/b7-5+
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n/an/a 3.59E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50494672
PNG
(CHEMBL2396878)
Show SMILES COc1ccccc1C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:13|
Show InChI InChI=1S/C19H15BrO3/c1-22-19-5-3-2-4-16(19)17(21)8-6-13-10-14-11-15(20)7-9-18(14)23-12-13/h2-11H,12H2,1H3/b8-6+
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n/an/a 4.28E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29140
PNG
(substituted chalcone, 5g)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
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n/an/a 5.37E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341676
PNG
((E)-3-(4-hydroxybenzylidene)chroman-4-one | CHEMBL...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12O3/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,17H,10H2/b12-9+
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n/an/a 5.50E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341672
PNG
((E)-3-(4-methoxybenzylidene)chroman-4-one | 3-(4-M...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-10H,11H2,1H3/b13-10+
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n/an/a 5.89E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29146
PNG
(substituted chalcone, 5n)
Show SMILES Oc1cc(F)ccc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClFO2/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,19H/b8-3+
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n/an/a 7.08E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341665
PNG
((E)-3-(4-Hydroxy-3-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C17H14O4/c1-20-16-9-11(6-7-14(16)18)8-12-10-21-15-5-3-2-4-13(15)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 1.05E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
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n/an/a 1.41E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341675
PNG
((E)-3-(4-chlorobenzylidene)chroman-4-one | 3-(4-Ch...)
Show SMILES Clc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H11ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9+
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n/an/a 1.55E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29144
PNG
(substituted chalcone, 5k)
Show SMILES Oc1ccccc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+
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n/an/a 1.58E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341659
PNG
((E)-3-(2,4-Dimethoxybenzylidene)chroman-4-one | 3-...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1
Show InChI InChI=1S/C18H16O4/c1-20-14-8-7-12(17(10-14)21-2)9-13-11-22-16-6-4-3-5-15(16)18(13)19/h3-10H,11H2,1-2H3/b13-9+
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n/an/a 2.45E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341669
PNG
((E)-3-Benzylidene-6-chlorochroman-4-one | CHEMBL17...)
Show SMILES Clc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C16H11ClO2/c17-13-6-7-15-14(9-13)16(18)12(10-19-15)8-11-4-2-1-3-5-11/h1-9H,10H2/b12-8+
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n/an/a 3.31E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341655
PNG
(5,7-dichloro-3-(4-chlorobenzyl)-4H-chromen-4-one |...)
Show SMILES Clc1ccc(Cc2coc3cc(Cl)cc(Cl)c3c2=O)cc1
Show InChI InChI=1S/C16H9Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-8H,5H2
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n/an/a 4.37E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29141
PNG
(substituted chalcone, 5h)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c1-25-21-14-10-20(11-15-21)23(24)16-9-18-7-12-22(13-8-18)26-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3/b16-9+
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n/an/a 4.47E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29148
PNG
(substituted chalcone, 5p)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClO3S/c1-21(19,20)15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
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n/an/a 4.68E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341677
PNG
((E)-3-benzylidenechroman-4-one | CHEMBL1766549)
Show SMILES O=C1\C(COc2ccccc12)=C\c1ccccc1
Show InChI InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2/b13-10+
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n/an/a 4.79E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341661
PNG
((E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one ...)
Show SMILES Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C16H13NO3/c17-13-8-10(5-6-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9,17H2/b11-7+
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n/an/a 4.79E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341664
PNG
((E)-3-(3-Hydroxy-4-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H14O4/c1-20-16-7-6-11(9-14(16)18)8-12-10-21-15-5-3-2-4-13(15)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 4.79E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341662
PNG
((E)-3-(4-Hydroxy-3-nitrobenzylidene)chroman-4-one ...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5/c18-14-6-5-10(8-13(14)17(20)21)7-11-9-22-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9H2/b11-7+
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n/an/a 4.90E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29147
PNG
(substituted chalcone, 5o)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H17FO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
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n/an/a 5.01E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341668
PNG
((E)-3-(4-Aminobenzylidene)chroman-4-one | CHEMBL17...)
Show SMILES Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13NO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10,17H2/b12-9+
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n/an/a 8.71E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29138
PNG
(substituted chalcone, 5b)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#6])cc2)c(-[#8])c1
Show InChI InChI=1S/C21H22O3/c1-15(2)12-13-24-18-9-10-19(21(23)14-18)20(22)11-8-17-6-4-16(3)5-7-17/h4-12,14,23H,13H2,1-3H3/b11-8+
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n/an/a 1.02E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341667
PNG
((E)-N-(4-[(4-Oxochroman-3-ylidene)methyl]phenyl)ac...)
Show SMILES CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+
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n/an/a 1.07E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29139
PNG
(substituted chalcone, 5e)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1
Show InChI InChI=1S/C20H19ClO3/c1-14(2)11-12-24-17-8-9-18(20(23)13-17)19(22)10-5-15-3-6-16(21)7-4-15/h3-11,13,23H,12H2,1-2H3/b10-5+
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n/an/a 1.26E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341660
PNG
((E)-3-(2-Hydroxy-4-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(O)c1
Show InChI InChI=1S/C17H14O4/c1-20-13-7-6-11(15(18)9-13)8-12-10-21-16-5-3-2-4-14(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 1.32E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341657
PNG
((E)-3-(2,3,4-Trimethoxybenzylidene)chroman-4-one |...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1OC
Show InChI InChI=1S/C19H18O5/c1-21-16-9-8-12(18(22-2)19(16)23-3)10-13-11-24-15-7-5-4-6-14(15)17(13)20/h4-10H,11H2,1-3H3/b13-10+
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n/an/a 1.32E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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n/an/a 1.41E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341658
PNG
((E)-3-(2,3-Dimethoxybenzylidene)chroman-4-one | CH...)
Show SMILES COc1cccc(\C=C2/COc3ccccc3C2=O)c1OC
Show InChI InChI=1S/C18H16O4/c1-20-16-9-5-6-12(18(16)21-2)10-13-11-22-15-8-4-3-7-14(15)17(13)19/h3-10H,11H2,1-2H3/b13-10+
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n/an/a 1.91E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341651
PNG
(6-chloro-3-(4-chlorobenzyl)chroman-4-one | CHEMBL1...)
Show SMILES Clc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11H,7,9H2
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n/an/a 3.09E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341650
PNG
(5,7-dichloro-3-(4-chlorobenzyl)chroman-4-one | CHE...)
Show SMILES Clc1ccc(CC2COc3cc(Cl)cc(Cl)c3C2=O)cc1
Show InChI InChI=1S/C16H11Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10H,5,8H2
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n/an/a 4.57E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341652
PNG
(3-(4-chlorobenzyl)chroman-4-one | CHEMBL1766624)
Show SMILES Clc1ccc(CC2COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,12H,9-10H2
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n/an/a 7.41E+6n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29137
PNG
(substituted chalcone, 5a)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c(-[#8])c1
Show InChI InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+
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n/an/a 1.86E+7n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341656
PNG
((E)-3-(3,4,5-Trimethoxybenzylidene)chroman-4-one |...)
Show SMILES COc1cc(\C=C2/COc3ccccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C19H18O5/c1-21-16-9-12(10-17(22-2)19(16)23-3)8-13-11-24-15-7-5-4-6-14(15)18(13)20/h4-10H,11H2,1-3H3/b13-8+
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n/an/a 2.09E+7n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341654
PNG
(3-(4-methoxybenzyl)-4H-chromen-4-one | CHEMBL17666...)
Show SMILES COc1ccc(Cc2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-9,11H,10H2,1H3
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Article
PubMed
n/an/a 2.14E+7n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341653
PNG
(3-benzylchroman-4-one | CHEMBL1766622)
Show SMILES O=C1C(Cc2ccccc2)COc2ccccc12
Show InChI InChI=1S/C16H14O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-9,13H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.89E+7n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair