BDBM50128248 3-(3-Hydroxy-propylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL302979

SMILES: CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1

InChI Key: InChIKey=RQVLKKWTJBIEOX-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 = 50128248   

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))	BDBM50128248 (3-(3-Hydroxy-propylsulfanyl)-6,6-dimethyl-1-(1H-py...) Show SMILES CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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))	BDBM50128248 (3-(3-Hydroxy-propylsulfanyl)-6,6-dimethyl-1-(1H-py...) Show SMILES CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	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))	BDBM50128248 (3-(3-Hydroxy-propylsulfanyl)-6,6-dimethyl-1-(1H-py...) Show SMILES CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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))	BDBM50128248 (3-(3-Hydroxy-propylsulfanyl)-6,6-dimethyl-1-(1H-py...) Show SMILES CC1(C)Cc2c(sc(SCCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	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