Reaction Details Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50067760
Substrate
n/a
Meas. Tech.
ChEMBL_28169 (CHEMBL644123)
IC50
30±n/a nM
Citation
 Tanaka, A; Terasawa, T; Hagihara, H; Ishibe, N; Sawada, M; Sakuma, Y; Hashimoto, M; Takasugi, H; Tanaka, H Inhibitors of acyl-CoA:cholesterol O-acyltransferase. 3. Discovery of a novel series of N-alkyl-N-[(fluorophenoxy)benzyl]-N'-arylureas with weak toxicological effects on adrenal glands. J Med Chem 41:4408-20 (1998) [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:
BDBM50067760
Synonyms:
3-(2-Chloro-4-methanesulfonyl-6-methyl-pyridin-3-yl)-1-cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-urea | CHEMBL136438
Type:
Small organic molecule
Emp. Form.:
C28H31ClFN3O4S
Mol. Mass.:
560.08
SMILES:
Cc1cc(c(NC(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C2CCCCCC2)c(Cl)n1)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: