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Target
Cholesteryl ester transfer protein
Ligand
BDBM50100999
Substrate
n/a
Meas. Tech.
ChEMBL_448557 (CHEMBL897706)
IC50
1120±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:
BDBM50100999
Synonyms:
1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(3-thiophen-2-yl-benzyl)-amino]-propan-2-ol | 1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(thiophen-2-yl)benzyl)amino)propan-2-ol | 3-((3-(thiophen-2-yl)benzyl)(3-phenoxyphenyl)amino)-1,1,1-trifluoropropan-2-ol | CHEMBL40419
Type:
Small organic molecule
Emp. Form.:
C26H22F3NO2S
Mol. Mass.:
469.519
SMILES:
OC(CN(Cc1cccc(c1)-c1cccs1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Structure:
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