Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1' and Ligand = 'BDBM50243982'   

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-1 (Homo sapiens (Human))	BDBM50243982 (CHEMBL453324 | ethyl 4-ethyl-6,7-dimethoxy-9H-pyri...) Show SMILES CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC Show InChI InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
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