Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50145551'   

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))	BDBM50145551 (2,2-Dimethyl-thiopropionic acid S-(2-{[1-(3-methyl...) Show SMILES CC(C)CCC1(CCCCC1)C(=O)Nc1cc(ccc1SC(=O)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H34F3NO2S/c1-16(2)11-14-23(12-7-6-8-13-23)20(29)28-18-15-17(24(25,26)27)9-10-19(18)31-21(30)22(3,4)5/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,28,29)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of CETP activity was assessed by measuring the rate of [3H]- cholesteryl ester transfer from HDL to apoprotein B-containing lipop...				Bioorg Med Chem Lett 14: 2589-91 (2004) Article DOI: 10.1016/j.bmcl.2004.02.071 BindingDB Entry DOI: 10.7270/Q2VQ324C
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