Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2' and Ligand = 'BDBM50110708'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110708 (6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...) Show SMILES CC1(C)Cc2c(sc(SSc3nccs3)c2C(=O)C1)-c1ccn[nH]1 Show InChI InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	48	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 Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha3-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
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