Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50028949'   

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))	BDBM50028949 (CHEMBL3359663) Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H32N2O2/c1-16(2)24-22-23(21-19(29-24)13-26(3,4)14-20(21)30)27(11-5-6-12-27)31-25(22)18-9-7-17(15-28)8-10-18/h7-10,16,20,25,30H,5-6,11-14H2,1-4H3/t20-,25+/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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP by fluorescence transfer assay				J Med Chem 57: 8766-76 (2014) Article DOI: 10.1021/jm500431d BindingDB Entry DOI: 10.7270/Q2HT2QX3
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