Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50169273'   

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))	BDBM50169273 (7-Methyl-bicyclo[2.2.1]heptane-7-carboxylic acid 9...) Show SMILES COc1c(ccc2Oc3c(OC(=O)C4(C)C5CCC4CC5)c(C)c(C)c(Cl)c3OC(=O)c12)[C@@H](O)CC(C)(C)C |TLB:11:13:19.20:16.17,THB:14:13:19.20:16.17| Show InChI InChI=1S/C31H37ClO7/c1-15-16(2)24(39-29(35)31(6)17-8-9-18(31)11-10-17)27-26(23(15)32)38-28(34)22-21(37-27)13-12-19(25(22)36-7)20(33)14-30(3,4)5/h12-13,17-18,20,33H,8-11,14H2,1-7H3/t17?,18?,20-,31?/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare Pharma Research Curated by ChEMBL					Assay Description Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay				Bioorg Med Chem Lett 15: 3611-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.073 BindingDB Entry DOI: 10.7270/Q2BZ65KB
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