Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179537'   

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))	BDBM179537 (US9126976, 68) Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1ccc(cc1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C31H26F6N2O2/c32-30(33,34)29(40)20-39-27-12-5-4-11-26(27)38(18-21-7-6-10-25(17-21)41-31(35,36)37)19-28(39)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-17,28-29,40H,18-20H2/t28?,29-/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	25	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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