Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-5/beta-3/gamma-2' and Ligand = 'BDBM50067420'   

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))	BDBM50067420 ((S)-9-Ethynyl-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067420 ((S)-9-Ethynyl-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha5beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...				Citation and Details Article DOI: 10.1007/s00044-004-0033-7 BindingDB Entry DOI: 10.7270/Q261137K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067420 ((S)-9-Ethynyl-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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