Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50285082
Substrate
n/a
Meas. Tech.
ChEBML_48937
IC50
6900±n/a nM
Citation
 Chackalamannil, S; Xia, Y; Wang, Y; Tsai, H; Czarniecki, M; Wang, S; Clemmons, A; Ahn, HS; Boykow, G Novel inhibitors of cholesteryl ester transfer protein Bioorg Med Chem Lett 5:2005-2010 (1995)    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:
BDBM50285082
Synonyms:
4-Methoxy-3-[2-((2S,8aR)-2,5,5,8a-tetramethyl-decahydro-naphthalen-1-yl)-ethyl]-benzene-1,2-diol | CHEMBL61585
Type:
Small organic molecule
Emp. Form.:
C23H36O3
Mol. Mass.:
360.5301
SMILES:
COc1ccc(O)c(O)c1CCC1[C@@H](C)CCC2C(C)(C)CCC[C@]12C
Structure:
Search PDB for entries with ligand similarity: