Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid (GABA) B receptor 1' and Ligand = 'BDBM50055912'   

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 (GABA) B receptor 1 (Rattus norvegicus (rat))	BDBM50055912 ((3alpha,5alpha)-3-hydroxypregnan-20-one) | 1-((3R,...) Show SMILES CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description [35S]TBPS binding assay.				US Patent US8575375 (2013) BindingDB Entry DOI: 10.7270/Q2ST7NGT
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