Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179531'   

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))	BDBM179531 (US9126976, 62) Show SMILES O[C@H](CN1[C@@H](CN(Cc2ccnc(c2)N2CCOCC2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H28F6N4O2/c29-27(30,31)21-5-3-4-20(15-21)24-17-37(16-19-8-9-35-26(14-19)36-10-12-40-13-11-36)22-6-1-2-7-23(22)38(24)18-25(39)28(32,33)34/h1-9,14-15,24-25,39H,10-13,16-18H2/t24-,25+/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	326	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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