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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'simsek' and Initial = 'oo'   
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))
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 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))
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))
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 6.23E+4n/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))
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 7.51E+4n/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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n/an/a 7.86E+4n/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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n/an/a 8.02E+4n/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))
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 8.05E+4n/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))
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 8.96E+4n/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))
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 9.01E+4n/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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n/an/a 9.06E+4n/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))
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 9.52E+4n/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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n/an/a 1.08E+5n/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))
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 1.10E+5n/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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n/an/a 1.14E+5n/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