Reaction Details  Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50297024
Substrate
n/a
Meas. Tech.
ChEMBL_580972 (CHEMBL1054937)
IC50
480±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:
BDBM50297024
Synonyms:
CHEMBL563699 | N-(1-Isobutyl-5-methanesulfonylamino-4,6-dimethylindol-7-yl)-2,2-dimethylpropanamide
Type:
Small organic molecule
Emp. Form.:
C20H31N3O3S
Mol. Mass.:
393.543
SMILES:
CC(C)Cn1ccc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c12
Structure:
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