Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50394942
Substrate
n/a
Meas. Tech.
ChEMBL_860698 (CHEMBL2168015)
IC50
12000±n/a nM
Citation
 Harikrishnan, LS; Finlay, HJ; Qiao, JX; Kamau, MG; Jiang, J; Wang, TC; Li, J; Cooper, CB; Poss, MA; Adam, LP; Taylor, DS; Chen, AY; Yin, X; Sleph, PG; Yang, RZ; Sitkoff, DF; Galella, MA; Nirschl, DS; Van Kirk, K; Miller, AV; Huang, CS; Chang, M; Chen, XQ; Salvati, ME; Wexler, RR; Lawrence, RM Diphenylpyridylethanamine (DPPE) derivatives as cholesteryl ester transfer protein (CETP) inhibitors. J Med Chem 55:6162-75 (2012) [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:
BDBM50394942
Synonyms:
CHEMBL2165718
Type:
Small organic molecule
Emp. Form.:
C26H24ClF4N3O
Mol. Mass.:
505.935
SMILES:
Fc1cc(cc(c1)C(Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)nc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: