Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467]' and Ligand = 'BDBM25881'   

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-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM25881 (3-({12-ethyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(CC)ccc-21 Show InChI InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.55E+3	-26.9	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Wisconsin-Milwaukee					Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...				Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR
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