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Target
Cholesteryl ester transfer protein
Ligand
BDBM50118037
Substrate
n/a
Meas. Tech.
ChEMBL_636763 (CHEMBL1167052)
IC50
300±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:
BDBM50118037
Synonyms:
3-((3-cyclopentylbenzyl)(3-phenoxyphenyl)amino)-1,1,1-trifluoropropan-2-ol | 3-[(3-Cyclopentyl-benzyl)-(3-phenoxy-phenyl)-amino]-1,1,1-trifluoro-propan-2-ol | CHEMBL125629
Type:
Small organic molecule
Emp. Form.:
C27H28F3NO2
Mol. Mass.:
455.5119
SMILES:
OC(CN(Cc1cccc(c1)C1CCCC1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: