Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50312709
Substrate
n/a
Meas. Tech.
ChEMBL_615620 (CHEMBL1104194)
IC50
80±n/a nM
Citation
 Schmeck, C; Gielen-Haertwig, H; Vakalopoulos, A; Bischoff, H; Li, V; Wirtz, G; Weber, O Novel tetrahydrochinoline derived CETP inhibitors. Bioorg Med Chem Lett 20:1740-3 (2010) [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:
BDBM50312709
Synonyms:
CHEMBL1080749 | trans-4-cyclohexyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
Type:
Small organic molecule
Emp. Form.:
C28H36F3NO2
Mol. Mass.:
475.5861
SMILES:
CC(C)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCCCC2)c1[C@@H](O)c1ccc(cc1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: