Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50312720'   

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))	BDBM50312720 ((S)-3'-((S)-fluoro(4-(trifluoromethyl)phenyl)methy...) Show SMILES CC(C)c1nc2CC3(CCC3)C[C@H](O)c2c(-c2ccc(F)cc2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F5NO/c1-16(2)27-25(26(31)18-4-8-19(9-5-18)29(32,33)34)23(17-6-10-20(30)11-7-17)24-21(35-27)14-28(12-3-13-28)15-22(24)36/h4-11,16,22,26,36H,3,12-15H2,1-2H3/t22-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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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