BDBM50128243 6,6-Dimethyl-3-methylsulfanyl-1-(1-methyl-1H-[1,2,4]triazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL432542

SMILES: CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1

InChI Key: InChIKey=HRUDFUBJGCKXQF-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50128243   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50128243 (6,6-Dimethyl-3-methylsulfanyl-1-(1-methyl-1H-[1,2,...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1 Show InChI InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50128243 (6,6-Dimethyl-3-methylsulfanyl-1-(1-methyl-1H-[1,2,...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1 Show InChI InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human gamma-amino butyric-acid A receptor alpha2beta3gamma2, using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50128243 (6,6-Dimethyl-3-methylsulfanyl-1-(1-methyl-1H-[1,2,...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1 Show InChI InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human gamma-amino butyric-acid A receptor alpha3beta3gamma2, using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50128243 (6,6-Dimethyl-3-methylsulfanyl-1-(1-methyl-1H-[1,2,...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ncn(C)n1 Show InChI InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human gamma-aminobutyric-acid A receptor alpha1beta3gamma2, determined using [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair