Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50312730'   

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))	BDBM50312730 ((S)-(4'-cyclohexyl-5'-hydroxy-2'-isopropyl-6',8'-d...) Show SMILES CC(C)c1nc2CC3(CCC3)C[C@H](O)c2c(C2CCCCC2)c1C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H34F3NO2/c1-17(2)26-25(27(35)19-9-11-20(12-10-19)29(30,31)32)23(18-7-4-3-5-8-18)24-21(33-26)15-28(13-6-14-28)16-22(24)34/h9-12,17-18,22,34H,3-8,13-16H2,1-2H3/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	33	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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