Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179534'   

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))	BDBM179534 (US9126976, 65) Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccc(F)c(F)c12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19F11N2O2/c27-18-7-8-19-23(22(18)28)39(13-21(40)25(32,33)34)20(15-4-2-5-16(10-15)24(29,30)31)12-38(19)11-14-3-1-6-17(9-14)41-26(35,36)37/h1-10,20-21,40H,11-13H2/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	157	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US9126976 (2015) BindingDB Entry DOI: 10.7270/Q25B018M
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