Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50312705'   

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))	BDBM50312705 ((S)-benzyl 4-(2-cyclopentyl-5-hydroxy-7,7-dimethyl...) Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCCC1)c(C(=O)c1ccc(cc1)C(F)(F)F)c2C1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C37H41F3N2O4/c1-36(2)20-28-31(29(43)21-36)30(24-16-18-42(19-17-24)35(45)46-22-23-8-4-3-5-9-23)32(33(41-28)25-10-6-7-11-25)34(44)26-12-14-27(15-13-26)37(38,39)40/h3-5,8-9,12-15,24-25,29,43H,6-7,10-11,16-22H2,1-2H3/t29-/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	500	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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