BindingDB logo
myBDB logout

null

SMILES: CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=MWAUZLNCUAEKNR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50244155   
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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244155
PNG
(1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...)
Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-5-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244155
PNG
(1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...)
Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair