Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50206851
Substrate
n/a
Meas. Tech.
ChEMBL_454785 (CHEMBL886813)
IC50
54570±n/a nM
Citation
 Eary, CT; Jones, ZS; Groneberg, RD; Burgess, LE; Mareska, DA; Drew, MD; Blake, JF; Laird, ER; Balachari, D; O'Sullivan, M; Allen, A; Marsh, V Tetrazole and ester substituted tetrahydoquinoxalines as potent cholesteryl ester transfer protein inhibitors. Bioorg Med Chem Lett 17:2608-13 (2007) [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:
BDBM50206851
Synonyms:
2-(5-((3,5-bis(trifluoromethyl)phenyl)(4-(ethoxycarbonyl)-3-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)methyl)-2H-tetrazol-2-yl)acetic acid | CHEMBL240824
Type:
Small organic molecule
Emp. Form.:
C26H23F9N6O4
Mol. Mass.:
654.4842
SMILES:
CCOC(=O)N1C(CC)CN(C(c2nnn(CC(O)=O)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6|
Structure:
Search PDB for entries with ligand similarity: