Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179512'   

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))	BDBM179512 (US9126976, 43) Show SMILES Cc1ccc(cc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H23F9N2O/c1-16-9-10-20(26(31,32)33)12-18(16)13-37-14-23(17-5-4-6-19(11-17)25(28,29)30)38(15-24(39)27(34,35)36)22-8-3-2-7-21(22)37/h2-12,23-24,39H,13-15H2,1H3/t23-,24+/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	270	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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