BDBM50146441 3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one::CHEMBL95746

SMILES: CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1

InChI Key: InChIKey=AOZALWRGTMILIK-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 = 50146441   

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))	BDBM50146441 (3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...) Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				Bioorg Med Chem Lett 14: 2871-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.054 BindingDB Entry DOI: 10.7270/Q2KW5GK5
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50146441 (3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...) Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2				Bioorg Med Chem Lett 14: 2871-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.054 BindingDB Entry DOI: 10.7270/Q2KW5GK5
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50146441 (3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...) Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2				Bioorg Med Chem Lett 14: 2871-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.054 BindingDB Entry DOI: 10.7270/Q2KW5GK5
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50146441 (3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...) Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2				Bioorg Med Chem Lett 14: 2871-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.054 BindingDB Entry DOI: 10.7270/Q2KW5GK5
					More data for this Ligand-Target Pair