Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50320489
Substrate
n/a
Meas. Tech.
ChEMBL_636763 (CHEMBL1167052)
IC50
200±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:
BDBM50320489
Synonyms:
1-isopropyl-2-methyl-4-(3-(4,5,5-trimethyl-1-(3-(2,2,3-trimethylbutyl)phenyl)hexan-2-yl)benzyl)benzene | CHEMBL1163792
Type:
Small organic molecule
Emp. Form.:
C39H56
Mol. Mass.:
524.8619
SMILES:
CC(C)c1ccc(Cc2cccc(c2)C(CC(C)C(C)(C)C)Cc2cccc(CC(C)(C)C(C)C)c2)cc1C
Structure:
Search PDB for entries with ligand similarity: