Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50118051
Substrate
n/a
Meas. Tech.
ChEMBL_48930 (CHEMBL665925)
IC50
30000±n/a nM
Citation
Durley, RC; Grapperhaus, ML; Hickory, BS; Massa, MA; Wang, JL; Spangler, DP; Mischke, DA; Parnas, BL; Fobian, YM; Rath, NP; Honda, DD; Zeng, M; Connolly, DT; Heuvelman, DM; Witherbee, BJ; Melton, MA; Glenn, KC; Krul, ES; Smith, ME; Sikorski, JA Chiral N,N-disubstituted trifluoro-3-amino-2-propanols are potent inhibitors of cholesteryl ester transfer protein. J Med Chem 45:3891-904 (2002) [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:
BDBM50118051
Synonyms:
1,1,1-Trifluoro-3-[(3-phenoxy-benzyl)-(3-trifluoromethoxy-benzyl)-amino]-propan-2-ol | 1,1,1-trifluoro-3-((3-phenoxybenzyl)(3-(trifluoromethoxy)benzyl)amino)propan-2-ol | CHEMBL129725
Type:
Small organic molecule
Emp. Form.:
C24H21F6NO3
Mol. Mass.:
485.4189
SMILES:
OC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F