BDBM50110708 6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldisulfanyl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL17424

SMILES CC1(C)Cc2c(sc(SSc3nccs3)c2C(=O)C1)-c1ccn[nH]1

InChI Key InChIKey=AYVAVBFBOCMUHW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50110708   

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

Curated by ChEMBL
LigandPNGBDBM50110708(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...)
Affinity DataKi:  1.40nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110708(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...)
Affinity DataKi:  4.30nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110708(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...)
Affinity DataKi:  19nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110708(6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...)
Affinity DataKi:  48nMAssay 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