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Target
Cholesteryl ester transfer protein
Ligand
BDBM50118038
Substrate
n/a
Meas. Tech.
ChEMBL_448557 (CHEMBL897706)
IC50
420±n/a nM
Citation
 Castilho, MS; Guido, RV; Andricopulo, AD 2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors. Bioorg Med Chem 15:6242-52 (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:
BDBM50118038
Synonyms:
1,1,1,3,3,3-Hexafluoro-2-(3-{[(3-phenoxy-phenyl)-(3,3,3-trifluoro-2-hydroxy-propyl)-amino]-methyl}-phenyl)-propan-2-ol | 1,1,1,3,3,3-hexafluoro-2-(3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)phenyl)propan-2-ol | CHEMBL338700
Type:
Small organic molecule
Emp. Form.:
C25H20F9NO3
Mol. Mass.:
553.4168
SMILES:
OC(CN(Cc1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Structure:
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