Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2' and Ligand = 'BDBM50214661'   

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-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50214661 (4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...) Show SMILES CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(.33,-36.35,;.81,-34.89,;-.22,-33.74,;.26,-32.27,;1.72,-31.8,;2.97,-32.71,;2.8,-34.24,;1.73,-30.26,;.26,-29.78,;-.64,-31.03,;-2.18,-31.02,;-2.94,-32.36,;-2.17,-33.69,;-4.48,-32.36,;-5.25,-31.02,;-4.48,-29.69,;-2.94,-29.69,;-2.17,-28.36,;-6.79,-31.02,;-8.35,-31.09,;-6.83,-29.48,;-6.74,-32.56,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
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