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Target
Cholesteryl ester transfer protein
Ligand
BDBM50118063
Substrate
n/a
Meas. Tech.
ChEMBL_636763 (CHEMBL1167052)
IC50
16000±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:
BDBM50118063
Synonyms:
3-{[(3-Phenoxy-phenyl)-(3,3,3-trifluoro-2-hydroxy-propyl)-amino]-methyl}-benzoic acid methyl ester | CHEMBL341275 | methyl 3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate | methyl-3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate
Type:
Small organic molecule
Emp. Form.:
C24H22F3NO4
Mol. Mass.:
445.431
SMILES:
COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1
Structure:
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