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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'bilgin' and Initial = 'aa'   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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0.900n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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0.960n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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4.22n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5.53n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304161
PNG
(3-(2-Thienyl)-2-(N-phenylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C18H19N3S2/c22-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-23-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,22)
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39.1n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304155
PNG
(3-(2-Furyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C15H21N3OS/c1-2-9-16-15(20)18-14(13-8-5-10-19-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,20)
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650n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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880n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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1.08E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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1.23E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/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-/s2
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1.35E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304158
PNG
(3-(2-Thienyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C13H17N3S2/c1-14-13(17)16-12(11-7-4-8-18-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,17)
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1.69E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304159
PNG
(3-(2-Thienyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C14H19N3S2/c1-2-15-14(18)17-13(12-8-5-9-19-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,18)
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1.72E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304154
PNG
(3-(2-Furyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C14H19N3OS/c1-2-15-14(19)17-13(12-8-5-9-18-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,19)
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1.95E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304153
PNG
(3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)
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2.10E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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2.90E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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2.99E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304159
PNG
(3-(2-Thienyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C14H19N3S2/c1-2-15-14(18)17-13(12-8-5-9-19-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,18)
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3.01E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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3.90E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304155
PNG
(3-(2-Furyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C15H21N3OS/c1-2-9-16-15(20)18-14(13-8-5-10-19-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,20)
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4.05E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304154
PNG
(3-(2-Furyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C14H19N3OS/c1-2-15-14(19)17-13(12-8-5-9-18-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,19)
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4.26E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304158
PNG
(3-(2-Thienyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C13H17N3S2/c1-14-13(17)16-12(11-7-4-8-18-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,17)
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5.01E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304153
PNG
(3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)
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8.82E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217369
PNG
(3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1
Show InChI InChI=1/C16H18N4OS/c1-17-16(22)20-15(13-4-3-9-18-13)10-14(19-20)11-5-7-12(21-2)8-6-11/h3-9,15,18H,10H2,1-2H3,(H,17,22)
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1.25E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217374
PNG
(3-(4-chlorophenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,5...)
Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C15H15ClN4S/c1-17-15(21)20-14(12-3-2-8-18-12)9-13(19-20)10-4-6-11(16)7-5-10/h2-8,14,18H,9H2,1H3,(H,17,21)
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1.32E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217373
PNG
(CHEMBL229550 | N-ethyl-3-(4-methoxyphenyl)-5-(1H-p...)
Show SMILES CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1
Show InChI InChI=1/C17H20N4OS/c1-3-18-17(23)21-16(14-5-4-10-19-14)11-15(20-21)12-6-8-13(22-2)9-7-12/h4-10,16,19H,3,11H2,1-2H3,(H,18,23)
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2.40E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217379
PNG
(3-(4-chlorophenyl)-N-ethyl-5-(1H-pyrrol-2-yl)-4,5-...)
Show SMILES CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C16H17ClN4S/c1-2-18-16(22)21-15(13-4-3-9-19-13)10-14(20-21)11-5-7-12(17)8-6-11/h3-9,15,19H,2,10H2,1H3,(H,18,22)
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2.69E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217368
PNG
(3-(4-chlorophenyl)-N-propyl-5-(1H-pyrrol-2-yl)-4,5...)
Show SMILES CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C17H19ClN4S/c1-2-9-20-17(23)22-16(14-4-3-10-19-14)11-15(21-22)12-5-7-13(18)8-6-12/h3-8,10,16,19H,2,9,11H2,1H3,(H,20,23)
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3.33E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217370
PNG
(3-(4-methoxyphenyl)-N-propyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1
Show InChI InChI=1/C18H22N4OS/c1-3-10-20-18(24)22-17(15-5-4-11-19-15)12-16(21-22)13-6-8-14(23-2)9-7-13/h4-9,11,17,19H,3,10,12H2,1-2H3,(H,20,24)
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3.37E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217372
PNG
(3-(4-methoxyphenyl)-N-phenyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1
Show InChI InChI=1/C21H20N4OS/c1-26-17-11-9-15(10-12-17)19-14-20(18-8-5-13-22-18)25(24-19)21(27)23-16-6-3-2-4-7-16/h2-13,20,22H,14H2,1H3,(H,23,27)
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3.71E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217371
PNG
(CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1
Show InChI InChI=1/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)
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6.08E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304161
PNG
(3-(2-Thienyl)-2-(N-phenylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C18H19N3S2/c22-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-23-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,22)
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9.23E+4n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/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-/s2
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1.06E+5n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304161
PNG
(3-(2-Thienyl)-2-(N-phenylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C18H19N3S2/c22-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-23-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,22)
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n/an/a 700n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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n/an/a 780n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/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-/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304155
PNG
(3-(2-Furyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C15H21N3OS/c1-2-9-16-15(20)18-14(13-8-5-10-19-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,20)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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n/an/a 2.05E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304158
PNG
(3-(2-Thienyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C13H17N3S2/c1-14-13(17)16-12(11-7-4-8-18-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,17)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304154
PNG
(3-(2-Furyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,7-...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C14H19N3OS/c1-2-15-14(19)17-13(12-8-5-9-18-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,19)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304153
PNG
(3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...)
Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)
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n/an/a 2.99E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304159
PNG
(3-(2-Thienyl)-2-(N-ethylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1/C14H19N3S2/c1-2-15-14(18)17-13(12-8-5-9-19-12)10-6-3-4-7-11(10)16-17/h5,8-10,13H,2-4,6-7H2,1H3,(H,15,18)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217374
PNG
(3-(4-chlorophenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,5...)
Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C15H15ClN4S/c1-17-15(21)20-14(12-3-2-8-18-12)9-13(19-20)10-4-6-11(16)7-5-10/h2-8,14,18H,9H2,1H3,(H,17,21)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217369
PNG
(3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1
Show InChI InChI=1/C16H18N4OS/c1-17-16(22)20-15(13-4-3-9-18-13)10-14(19-20)11-5-7-12(21-2)8-6-11/h3-9,15,18H,10H2,1-2H3,(H,17,22)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50217379
PNG
(3-(4-chlorophenyl)-N-ethyl-5-(1H-pyrrol-2-yl)-4,5-...)
Show SMILES CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C16H17ClN4S/c1-2-18-16(22)21-15(13-4-3-9-19-13)10-14(20-21)11-5-7-12(17)8-6-11/h3-9,15,19H,2,10H2,1H3,(H,18,22)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50217373
PNG
(CHEMBL229550 | N-ethyl-3-(4-methoxyphenyl)-5-(1H-p...)
Show SMILES CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1
Show InChI InChI=1/C17H20N4OS/c1-3-18-17(23)21-16(14-5-4-10-19-14)11-15(20-21)12-6-8-13(22-2)9-7-12/h4-10,16,19H,3,11H2,1-2H3,(H,18,23)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
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