Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50128150'   

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))	BDBM50128150 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(cyclop...) Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F Show InChI InChI=1S/C23H24F7NO3/c24-21(25)23(29,30)34-19-10-3-5-15(11-19)13-31(14-20(32)22(26,27)28)16-6-4-9-18(12-16)33-17-7-1-2-8-17/h3-6,9-12,17,20-21,32H,1-2,7-8,13-14H2	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Discovery Research (Pfizer Global Research and Development) Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer				J Med Chem 46: 2152-68 (2003) Article DOI: 10.1021/jm020528+ BindingDB Entry DOI: 10.7270/Q2QV3KWK
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Oryctolagus cuniculus)	BDBM50128150 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(cyclop...) Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F Show InChI InChI=1S/C23H24F7NO3/c24-21(25)23(29,30)34-19-10-3-5-15(11-19)13-31(14-20(32)22(26,27)28)16-6-4-9-18(12-16)33-17-7-1-2-8-17/h3-6,9-12,17,20-21,32H,1-2,7-8,13-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM50128150 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(cyclop...) Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F Show InChI InChI=1S/C23H24F7NO3/c24-21(25)23(29,30)34-19-10-3-5-15(11-19)13-31(14-20(32)22(26,27)28)16-6-4-9-18(12-16)33-17-7-1-2-8-17/h3-6,9-12,17,20-21,32H,1-2,7-8,13-14H2	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	400	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