Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50128152'   

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 (Oryctolagus cuniculus)	BDBM50128152 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...) Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1 Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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))	BDBM50128152 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...) Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1 Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3	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	80	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 (Homo sapiens (Human))	BDBM50128152 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...) Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1 Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3	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	100	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))	BDBM50128152 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...) Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1 Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3	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	3.80E+3	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 human serum				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 (Homo sapiens (Human))	BDBM50128152 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...) Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1 Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CETP (unknown origin)-mediated [3H]cholesteryl ester transfer from HDL donor particles to LDL acceptor particles				Citation and Details Article DOI: 10.1007/s00044-004-0104-9 BindingDB Entry DOI: 10.7270/Q2SQ9387
					More data for this Ligand-Target Pair