Reaction Details Report a problem with these data
Target
Sterol O-acyltransferase 1
Ligand
BDBM50450351
Substrate
n/a
Meas. Tech.
ChEBML_28026
IC50
3870±n/a nM
Citation
 Wilde, RG; Billheimer, JT Acyl CoA:cholesterol acyltransferase (ACAT) inhibitors: ureas bearing two heterocyclic head groups Bioorg Med Chem Lett 5:173-6 (1995)   
Target
Name:
Sterol O-acyltransferase 1
Synonyms:
ACAT-1 | Acact | Acetoacetyl-CoA thiolase | Acetyl-CoA acetyltransferase, mitochondrial | Acyl coenzyme A:cholesterol acyltransferase 1 | Acyl-coenzyme A:cholesterol acyltransferase 1 | Cholesterol acyltransferase 1 | SOAT1_MOUSE | Soat1 | Sterol O-acyltransferase 1
Type:
PROTEIN
Mol. Mass.:
63818.83
Organism:
Mouse
Description:
ChEMBL_90523
Residue:
540
Sequence:
MSLRNRLSKSGENPEQDEAQKNFMDTYRNGHITMKQLIAKKRLLAAEAEELKPLFMKEVGCHFDDFVTNLIEKSASLDNGGCALTTFSILEEMKKNHRAKDLRAPPEQGKIFISRQSLLDELFEVDHIRTIYHMFIALLILFVLSTIVVDYIDEGRLVLEFNLLAYAFGKFPTVIWTWWAMFLSTLSIPYFLFQRWAHGYSKSSHPLIYSLVHGLLFLVFQLGVLGFVPTYVVLAYTLPPASRFILILEQIRLIMKAHSFVRENIPRVLNAAKEKSSKDPLPTVNQYLYFLFAPTLIYRDNYPRTPTVRWGYVAMQFLQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSILPGVLILFLSFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYYYVYKDLLWFFSKRFKSAAMLAVFALSAVVHEYALAICLSYFYPVLFVLFMFFGMAFNFIVNDSRKRPIWNIMVWASLFLGYGLILCFYSQEWYARQHCPLKNPTFLDYVRPRTWTCRYVF
  
Inhibitor
Name:
BDBM50450351
Synonyms:
CHEMBL445610
Type:
Small organic molecule
Emp. Form.:
C36H34N4O3S2
Mol. Mass.:
634.81
SMILES:
COc1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)[nH]c1-c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: