BDBM50110705 3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL17547

SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1

InChI Key InChIKey=MZGKIGRVCYKVPS-UHFFFAOYSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50110705   

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

Curated by ChEMBL
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  0.5nMAssay 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
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  0.5nMAssay 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-1/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  3.60nMAssay 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
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  3.60nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  5.20nMAssay 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
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  5.20nMAssay 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-3/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  10nMAssay 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
LigandPNGBDBM50110705(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Affinity DataKi:  10nMAssay 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