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Target
Cholesteryl ester transfer protein
Ligand
BDBM234661
Substrate
n/a
Meas. Tech.
In Vitro Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
5±n/a nM
Comments
extracted
Citation
 Acton, III, JJ; Ye, F; Vachal, P; Sha, D; Dropinski, JF; Chu, L; Ondeyka, D; Kim, AJ; Colandrea, VJ; Zang, Y; Zhang, F; Dong, G Cyclic amine substituted heterocyclic CETP inhibitors US Patent  US9353101 Publication Date 5/31/2016 
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:
BDBM234661
Synonyms:
US9353101, 57
Type:
Small organic molecule
Emp. Form.:
C40H38F8N4O5
Mol. Mass.:
806.7407
SMILES:
COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(=O)OC(C)(C)C |r|
Structure:
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