Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50312716
Substrate
n/a
Meas. Tech.
ChEMBL_615620 (CHEMBL1104194)
IC50
22±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:
BDBM50312716
Synonyms:
(S)-4'-cyclohexyl-2'-cyclopentyl-3'-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-6',8'-dihydro-5'H-spiro[cyclobutane-1,7'-quinolin]-5'-ol | CHEMBL1081802
Type:
Small organic molecule
Emp. Form.:
C31H37F4NO
Mol. Mass.:
515.6252
SMILES:
O[C@H]1CC2(CCC2)Cc2nc(C3CCCC3)c([C@@H](F)c3ccc(cc3)C(F)(F)F)c(C3CCCCC3)c12 |r|
Structure:
Search PDB for entries with ligand similarity: