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4 similar compounds to monomer 50304157

Compile data set for download or QSAR
Wt: 279.4
BDBM50304158
Wt: 293.4
BDBM50304159
Wt: 307.4
BDBM50304160
Wt: 341.4
BDBM50304161

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50304158,50304159,50304160,50304161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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))
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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PubMed
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))
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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PubMed
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))
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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PubMed
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 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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PubMed
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))
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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Article
PubMed
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 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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PubMed
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))
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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Article
PubMed
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


(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)
PDB
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Article
PubMed
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))
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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Article
PubMed
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


(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)
PDB
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Article
PubMed
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 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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PubMed
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 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)
PDB
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PubMed
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 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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PubMed
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))
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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PubMed
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