Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-2/beta-3/gamma-2' and Ligand = 'BDBM50418478'   

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
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50418478 (CHEMBL1783278) Show SMILES CCn1cc2[nH]c3c(c(F)ccc3c(N)c2c1=O)-c1cc(OC)ccc1OC |(3.23,1.19,;2.47,2.53,;.93,2.54,;0,1.29,;-1.48,1.78,;-2.82,1,;-4.16,1.77,;-5.5,1.01,;-6.83,1.78,;-8.16,1.01,;-6.83,3.32,;-5.5,4.09,;-4.16,3.33,;-2.83,4.11,;-2.84,5.65,;-1.47,3.34,;.02,3.81,;.51,5.27,;-5.5,-.53,;-4.17,-1.29,;-4.17,-2.83,;-2.83,-3.59,;-2.83,-5.13,;-5.51,-3.6,;-6.84,-2.83,;-6.83,-1.29,;-8.16,-.51,;-9.5,-1.28,)| Show InChI InChI=1S/C21H20FN3O3/c1-4-25-10-15-18(21(25)26)19(23)12-6-7-14(22)17(20(12)24-15)13-9-11(27-2)5-8-16(13)28-3/h5-10,24H,4,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr				Bioorg Med Chem 19: 2927-38 (2011) Article DOI: 10.1016/j.bmc.2011.03.035 BindingDB Entry DOI: 10.7270/Q29S1S98
					More data for this Ligand-Target Pair