Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50101003'   

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))	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.				J Med Chem 45: 3891-904 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D7P
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles				J Med Chem 58: 8315-59 (2015) Article DOI: 10.1021/acs.jmedchem.5b00258 BindingDB Entry DOI: 10.7270/Q22J6DPZ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Oryctolagus cuniculus)	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Zaytoonah Private University of Jordan Curated by ChEMBL					Assay Description Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay				Eur J Med Chem 45: 1598-617 (2010) Article DOI: 10.1016/j.ejmech.2009.12.070 BindingDB Entry DOI: 10.7270/Q2VQ32VS
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal da Bahia Curated by ChEMBL					Assay Description Inhibition of CETP				Bioorg Med Chem 15: 6242-52 (2007) Article DOI: 10.1016/j.bmc.2007.06.021 BindingDB Entry DOI: 10.7270/Q2B857VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro human CETP inhibitory activity assessed by measuring the rate of [3H]-cholesteryl ester ([3H]-CE) from HDL donor particles to LDL acceptor p...				Bioorg Med Chem Lett 11: 1625-8 (2001) BindingDB Entry DOI: 10.7270/Q2W09579
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50101003 (3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...) Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of cholesteryl ester transfer protein in presence of human serum				J Med Chem 45: 3891-904 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D7P
					More data for this Ligand-Target Pair