Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179535'   

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))	BDBM179535 (US9126976, 66) Show SMILES O[C@H](CN1[C@@H](CN(CC2=CCCCC2)c2ccccc12)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r,t:8| Show InChI InChI=1S/C25H26F6N2O2/c26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(14-17-7-2-1-3-8-17)15-22(33)18-9-6-10-19(13-18)35-25(29,30)31/h4-7,9-13,22-23,34H,1-3,8,14-16H2/t22-,23+/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	8	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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