Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-5/beta-3/gamma-2' and Ligand = 'BDBM50067444'   

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-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067444 (CHEMBL336728 | ethyl 7-(1-ethynyl)-9-oxo-(12aS)-12...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067444 (CHEMBL336728 | ethyl 7-(1-ethynyl)-9-oxo-(12aS)-12...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair