BindingDB logo
myBDB logout

BDBM50244154 1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-hexahydrobenzo[c]thiophen-4(1H)-one::CHEMBL458144

InChI string: InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3

SMILES: CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=OGPGSYNCKSLJOF-UHFFFAOYSA-N

Data: 2 IC50

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 = 50244154   
Target
(Institution)
LigandTarget
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 (GABA(A))


(Homo sapiens (Human))
BDBM50244154
PNG
(1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...)
Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 210n/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)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244154
PNG
(1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...)
Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair