Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50334830'   

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))	BDBM50334830 (CHEMBL1643162 | methyl 3-(4-(2-(4-(5-cyano-7-methy...) Show SMILES COC(=O)c1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1 Show InChI InChI=1S/C29H27N5O4/c1-19-14-20(17-30)15-25-27(19)38-28(32-25)21-6-8-23(9-7-21)31-26(35)18-33-10-12-34(13-11-33)24-5-3-4-22(16-24)29(36)37-2/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay				Bioorg Med Chem Lett 21: 558-61 (2010) Article DOI: 10.1016/j.bmcl.2010.10.062 BindingDB Entry DOI: 10.7270/Q2XK8FT1
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50334830 (CHEMBL1643162 | methyl 3-(4-(2-(4-(5-cyano-7-methy...) Show SMILES COC(=O)c1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1 Show InChI InChI=1S/C29H27N5O4/c1-19-14-20(17-30)15-25-27(19)38-28(32-25)21-6-8-23(9-7-21)31-26(35)18-33-10-12-34(13-11-33)24-5-3-4-22(16-24)29(36)37-2/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay				Bioorg Med Chem Lett 21: 558-61 (2010) Article DOI: 10.1016/j.bmcl.2010.10.062 BindingDB Entry DOI: 10.7270/Q2XK8FT1
					More data for this Ligand-Target Pair