Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50277886'   

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))	BDBM50277886 (CHEMBL491072 | Tetrahydroquinoline B) Show SMILES O[C@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C26H20F9NO3/c27-24(28,29)23(37)14-36-21(16-5-2-7-18(13-16)39-26(33,34)35)11-10-20-19(8-3-9-22(20)36)15-4-1-6-17(12-15)38-25(30,31)32/h1-9,12-13,21,23,37H,10-11,14H2/t21-,23-/m1/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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human plasma derived CETP				Bioorg Med Chem Lett 19: 2456-60 (2009) Article DOI: 10.1016/j.bmcl.2009.03.051 BindingDB Entry DOI: 10.7270/Q2W37W6T
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