Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50206849
Substrate
n/a
Meas. Tech.
ChEMBL_454785 (CHEMBL886813)
IC50
100000±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
More Info.:
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:
BDBM50206849
Synonyms:
4-((3,5-bis(trifluoromethyl)phenyl)(2-methyl-2H-tetrazol-5-yl)methyl)-2-ethyl-N,N-dimethyl-6-(trifluoromethyl)-3,4-dihydroquinoxaline-1(2H)-carboxamide | CHEMBL394485
Type:
Small organic molecule
Emp. Form.:
C25H24F9N7O
Mol. Mass.:
609.49
SMILES:
CCC1CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc2N1C(=O)N(C)C)C(F)(F)F |w:5.4,2.1|