Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179505'   

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))	BDBM179505 (US9126976, 36) Show SMILES Cc1cc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)cc(Cl)n1 |r| Show InChI InChI=1S/C25H22ClF6N3O/c1-15-9-16(10-23(26)33-15)12-34-13-21(17-5-4-6-18(11-17)24(27,28)29)35(14-22(36)25(30,31)32)20-8-3-2-7-19(20)34/h2-11,21-22,36H,12-14H2,1H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	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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