Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179519'   

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))	BDBM179519 (US9126976, 50) Show SMILES COc1cc2ccc(cc2cc1OC)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc2N1C[C@@H](O)C(F)(F)F |r| Show InChI InChI=1S/C31H28F6N2O4/c1-41-27-14-20-10-11-21(13-22(20)15-28(27)42-2)26-17-38(16-19-6-5-7-23(12-19)43-31(35,36)37)24-8-3-4-9-25(24)39(26)18-29(40)30(32,33)34/h3-15,26,29,40H,16-18H2,1-2H3/t26-,29+/m0/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	193	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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