Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50312727'   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50312727 ((S)-(2,4-dicyclopentyl-5-hydroxy-7,7-dimethyl-5,6,...) Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCCC1)c(C(=O)c1ccc(cc1)C(F)(F)F)c2C1CCCC1 |r| Show InChI InChI=1S/C29H34F3NO2/c1-28(2)15-21-24(22(34)16-28)23(17-7-3-4-8-17)25(26(33-21)18-9-5-6-10-18)27(35)19-11-13-20(14-12-19)29(30,31)32/h11-14,17-18,22,34H,3-10,15-16H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of CETP assessed as cholesterol ester transfer after 4 hrs by microemulsion based fluorescence assay				Bioorg Med Chem Lett 20: 1740-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.071 BindingDB Entry DOI: 10.7270/Q28S4Q1P
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