Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179498'   

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))	BDBM179498 (US9126976, 29) Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(F)cc(c2)C(F)(F)F)c2ccccc12)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N2O/c26-19-11-16(10-18(12-19)24(27,28)29)13-33-14-22(17-6-2-1-3-7-17)34(15-23(35)25(30,31)32)21-9-5-4-8-20(21)33/h1-12,22-23,35H,13-15H2/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	105	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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