Reaction Details  Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50297015
Substrate
n/a
Meas. Tech.
ChEMBL_580972 (CHEMBL1054937)
IC50
68±n/a nM
Citation
 Shoji, Y; Takahashi, K; Ohta, M; Kasai, M; Kunishiro, K; Kanda, M; Yogai, S; Takeuchi, Y; Shirahase, H Novel indoline-based acyl-CoA: cholesterol acyltransferase inhibitor: Effects of introducing a methanesulfonamide group on physicochemical properties and biological activities. Bioorg Med Chem 17:6020-31 (2009) [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:
BDBM50297015
Synonyms:
CHEMBL559318 | N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-2,2-dimethylpropanamide
Type:
Small organic molecule
Emp. Form.:
C21H33N3O3S
Mol. Mass.:
407.57
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-c2c-1c(-[#7]-[#6](=O)C([#6])([#6])[#6])c(-[#6])c(-[#7]S([#6])(=O)=O)c2-[#6]
Structure:
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