Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50169130
Substrate
n/a
Meas. Tech.
ChEMBL_1577866 (CHEMBL3808209)
IC50
>10000±n/a nM
Citation
 Wilson, JE; Kurukulasuriya, R; Reibarkh, M; Reiter, M; Zwicker, A; Zhao, K; Zhang, F; Anand, R; Colandrea, VJ; Cumiskey, AM; Crespo, A; Duffy, RA; Murphy, BA; Mitra, K; Johns, DG; Duffy, JL; Vachal, P Discovery of Novel Indoline Cholesterol Ester Transfer Protein Inhibitors (CETP) through a Structure-Guided Approach. ACS Med Chem Lett 7:261-5 (2016) [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:
BDBM50169130
Synonyms:
CHEMBL3805507
Type:
Small organic molecule
Emp. Form.:
C26H21F6NO4
Mol. Mass.:
525.4397
SMILES:
O[C@H](CN1CC(Cc2cccc(c2)C(O)=O)(c2ccccc12)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: