Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50227154'   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50227154 (2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...) Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:5.4| Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at human LXRbeta				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
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