Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50128131
Substrate
n/a
Meas. Tech.
ChEMBL_636763 (CHEMBL1167052)
IC50
4±n/a nM
Citation
 Abu Khalaf, R; Abu Sheikha, G; Bustanji, Y; Taha, MO Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration. Eur J Med Chem 45:1598-617 (2010) [PubMed]  Article 
Target
Name:
Cholesteryl ester transfer protein
Synonyms:
CETP | CETP_RABIT
Type:
PROTEIN
Mol. Mass.:
54513.38
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_1504757
Residue:
497
Sequence:
ACPKGASYEAGIVCRITKPALLVLNQETAKVVQTAFQRAGYPDVSGERAVMLLGRVKYGLHNLQISHLSIASSQVELVDAKTIDVAIQNVSVVFKGTLNYSYTSAWGLGINQSVDFEIDSAIDLQINTELTCDAGSVRTNAPDCYLAFHKLLLHLQGEREPGWLKQLFTNFISFTLKLILKRQVCNEINTISNIMADFVQTRAASILSDGDIGVDISVTGAPVITATYLESHHKGHFTHKNVSEAFPLRAFPPGLLGDSRMLYFWFSDQVLNSLARAAFQEGRLVLSLTGDEFKKVLETQGFDTNQEIFQELSRGLPTGQAQVAVHCLKVPKISCQNRGVVVSSSVAVTFRFPRPDGREAVAYRFEEDIITTVQASYSQKKLFLHLLDFQCVPASGRAGSSANLSVALRTEAKAVSNLTESRSESLQSSLRSLIATVGIPEVMSRLEVAFTALMNSKGLDLFEIINPEIITLDGCLLLQMDFGFPKHLLVDFLQSLS
  
Inhibitor
Name:
BDBM50128131
Synonyms:
(R)-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chloro-3-ethylphenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol | (R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol | 3-{[3-(4-Chloro-3-ethyl-phenoxy)-phenyl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-1,1,1-trifluoro-propan-2-ol | CHEMBL67129 | SC-795
Type:
Small organic molecule
Emp. Form.:
C26H23ClF7NO3
Mol. Mass.:
565.908
SMILES:
CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Structure:
Search PDB for entries with ligand similarity: