Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50312725'   

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))	BDBM50312725 ((S)-(2'-cyclopentyl-5'-hydroxy-4'-isopropyl-6',8'-...) Show SMILES CC(C)c1c2[C@@H](O)CC3(CCC3)Cc2nc(C2CCCC2)c1C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H32F3NO2/c1-16(2)22-23-20(14-27(12-5-13-27)15-21(23)33)32-25(17-6-3-4-7-17)24(22)26(34)18-8-10-19(11-9-18)28(29,30)31/h8-11,16-17,21,33H,3-7,12-15H2,1-2H3/t21-/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	300	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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