Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50277460
Substrate
n/a
Meas. Tech.
ChEMBL_501358 (CHEMBL1010541)
IC50
500±n/a nM
Citation
Rano, TA; Sieber-McMaster, E; Pelton, PD; Yang, M; Demarest, KT; Kuo, GH Design and synthesis of potent inhibitors of cholesteryl ester transfer protein (CETP) exploiting a 1,2,3,4-tetrahydroquinoline platform. Bioorg Med Chem Lett 19:2456-60 (2009) [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:
BDBM50277460
Synonyms:
1,1,1-trifluoro-3-(2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-5-(4-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol | CHEMBL471064
Type:
Small organic molecule
Emp. Form.:
C27H21F10NO3
Mol. Mass.:
597.4446
SMILES:
OC(CN1C(CCc2c1cccc2-c1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F