Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM138225
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA)
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
96.54±n/a nM
Comments
extracted
Citation
 Shao, PP; Sun, W; Katipally, RR; Vachal, P; Ye, F; Liu, J; Sha, D Fused bicyclic oxazolidinone CETP inhibitor US Patent  US8871738 Publication Date 10/28/2014 
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:
BDBM138225
Synonyms:
US8871738, 8
Type:
Small organic molecule
Emp. Form.:
C33H26F9NO5
Mol. Mass.:
687.5489
SMILES:
COc1ccc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](C1)C(O)=O |r,wU:43.50,17.25,18.26,wD:41.45,14.15,(-4.15,6.78,;-2.82,7.55,;-1.49,6.78,;-.15,7.55,;1.18,6.78,;1.18,5.24,;-.15,4.47,;-1.49,5.24,;-2.82,4.47,;-4.15,5.24,;-5.49,4.47,;-5.49,2.93,;-4.15,2.16,;-2.82,2.93,;.05,1.27,;1.52,1.74,;2.42,.5,;1.52,-.75,;1.52,-2.29,;.05,-2.76,;-.85,-1.52,;-2.39,-1.52,;.05,-.27,;3,-2.69,;4.09,-1.6,;5.58,-2,;5.98,-3.48,;4.89,-4.57,;3.4,-4.17,;5.29,-6.06,;4.2,-7.15,;6.78,-6.46,;5.69,-7.55,;6.67,-.91,;8.16,-1.3,;6.27,.58,;7.76,.18,;-6.82,2.16,;-8.16,2.93,;-6.82,.62,;-8.16,1.39,;2.51,4.47,;2.91,2.98,;4.4,3.38,;4,4.87,;5.73,2.61,;7.07,3.38,;5.73,1.07,)|
Structure:
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