BDBM50128245 6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsulfanyl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL308481

SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1ccn[nH]1

InChI Key InChIKey=LBVOFGFYNPOQHT-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50128245   

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

Curated by ChEMBL
LigandPNGBDBM50128245(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsu...)
Affinity DataKi:  1.40nMAssay 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
LigandPNGBDBM50128245(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsu...)
Affinity DataKi:  4.30nMAssay 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
LigandPNGBDBM50128245(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsu...)
Affinity DataKi:  19nMAssay 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
LigandPNGBDBM50128245(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsu...)
Affinity DataKi:  48nMAssay 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