Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM41568'   

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))	BDBM41568 (US8871738, 83) Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)-c1nnc(N)o1 |r| Show InChI InChI=1S/C37H29F7N4O4/c1-17-10-20(13-22(11-17)37(42,43)44)32-30-9-8-29(48(30)35(49)51-32)26-14-21(36(39,40)41)5-7-24(26)27-15-25(28(38)16-31(27)50-3)23-6-4-19(12-18(23)2)33-46-47-34(45)52-33/h4-7,10-16,29-30,32H,8-9H2,1-3H3,(H2,45,47)/t29-,30-,32+/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	95.0	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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