BDBM50110712 6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL276508

SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccncc1

InChI Key InChIKey=HLRBYKMPMSUTAX-UHFFFAOYSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50110712   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  9.10nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  9.10nMAssay Description:Binding affinity to human GABA A alpha-5-beta-3-gamma-2 receptor, using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-3-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  35nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha-3-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  43nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-2-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  43nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha-2-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  172nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-1-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110712(6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...)
Affinity DataKi:  172nMAssay Description:Binding affinity to human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2, determined using [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed