Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179517'   

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))	BDBM179517 (US9126976, 48) Show SMILES CCOc1cccc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C26H25F6N3O2/c1-2-37-24-12-6-9-19(33-24)14-34-15-22(17-7-5-8-18(13-17)25(27,28)29)35(16-23(36)26(30,31)32)21-11-4-3-10-20(21)34/h3-13,22-23,36H,2,14-16H2,1H3/t22-,23+/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	310	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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