Reaction Details Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50039455
Substrate
n/a
Meas. Tech.
ChEMBL_28185 (CHEMBL639302)
IC50
170±n/a nM
Citation
 Picard, JA; Bousley, RF; Lee, HT; Hamelehle, KL; Krause, BR; Minton, LL; Sliskovic, DR; Stanfield, RL Inhibitors of acyl-CoA:cholesterol O-acyltransferase. 11. Structure-activity relationships of several series of compounds derived from N-(chlorocarbonyl) isocyanate. J Med Chem 37:2394-400 (1994) [PubMed]  Article 
Target
Name:
Acyl-CoA:cholesterol acyltransferase
Synonyms:
ACAT
Type:
n/a
Mol. Mass.:
35405.31
Organism:
Oryctolagus cuniculus
Description:
n/a
Residue:
305
Sequence:
PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF
  
Inhibitor
Name:
BDBM50039455
Synonyms:
CHEMBL80281 | [[[diphenyl]-amino]carbonyl]carbamicAcid,2,6-Bis(1-methylethyl)-phenyl Ester
Type:
Small organic molecule
Emp. Form.:
C26H28N2O3
Mol. Mass.:
416.5121
SMILES:
CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)N(c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: