Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM138230'   

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))	BDBM138230 (US8871738, 13) Show SMILES COc1ccc(C)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H22F9NO3/c1-14-3-8-24(41-2)21(9-14)19-5-4-16(27(30,31)32)13-20(19)22-6-7-23-25(42-26(40)39(22)23)15-10-17(28(33,34)35)12-18(11-15)29(36,37)38/h3-5,8-13,22-23,25H,6-7H2,1-2H3/t22-,23-,25+/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	263	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 US8871738 (2014) BindingDB Entry DOI: 10.7270/Q2S75F1W
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