Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50383578
Substrate
n/a
Meas. Tech.
ChEMBL_818747 (CHEMBL2033274)
IC50
29±n/a nM
Citation
 Escribano, A; Mateo, AI; Martin de la Nava, EM; Mayhugh, DR; Cockerham, SL; Beyer, TP; Schmidt, RJ; Cao, G; Zhang, Y; Jones, TM; Borel, AG; Sweetana, SA; Cannady, EA; Mantlo, NB Design and synthesis of new tetrahydroquinolines derivatives as CETP inhibitors. Bioorg Med Chem Lett 22:3671-5 (2012) [PubMed]  Article 
Target
Name:
Cholesteryl ester transfer protein
Synonyms:
CETP | CETP_HUMAN | Cholesteryl ester transfer protein (CETP) | Lipid transfer protein I
Type:
Enzyme
Mol. Mass.:
54751.53
Organism:
Homo sapiens (Human)
Description:
P11597
Residue:
493
Sequence:
MLAATVLTLALLGNAHACSKGTSHEAGIVCRITKPALLVLNHETAKVIQTAFQRASYPDITGEKAMMLLGQVKYGLHNIQISHLSIASSQVELVEAKSIDVSIQNVSVVFKGTLKYGYTTAWWLGIDQSIDFEIDSAIDLQINTQLTCDSGRVRTDAPDCYLSFHKLLLHLQGEREPGWIKQLFTNFISFTLKLVLKGQICKEINVISNIMADFVQTRAASILSDGDIGVDISLTGDPVITASYLESHHKGHFIYKNVSEDLPLPTFSPTLLGDSRMLYFWFSERVFHSLAKVAFQDGRLMLSLMGDEFKAVLETWGFNTNQEIFQEVVGGFPSQAQVTVHCLKMPKISCQNKGVVVNSSVMVKFLFPRPDQQHSVAYTFEEDIVTTVQASYSKKKLFLSLLDFQITPKTVSNLTESSSESVQSFLQSMITAVGIPEVMSRLEVVFTALMNSKGVSLFDIINPEIITRDGFLLLQMDFGFPEHLLVDFLQSLS
  
Inhibitor
Name:
BDBM50383578
Synonyms:
CHEMBL2029484
Type:
Small organic molecule
Emp. Form.:
C28H30F9N7O2
Mol. Mass.:
667.5691
SMILES:
CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: