Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50248637
Substrate
n/a
Meas. Tech.
ChEMBL_543686 (CHEMBL1015165)
IC50
420±n/a nM
Citation
 Sheng, R; Xu, Y; Hu, C; Zhang, J; Lin, X; Li, J; Yang, B; He, Q; Hu, Y Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives. Eur J Med Chem 44:7-17 (2008) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache
Type:
Enzyme
Mol. Mass.:
68193.62
Organism:
Rattus norvegicus (rat)
Description:
P37136
Residue:
614
Sequence:
MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50248637
Synonyms:
(E)-2-{4-[(Dimethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one | CHEMBL462873
Type:
Small organic molecule
Emp. Form.:
C21H23NO3
Mol. Mass.:
337.4122
SMILES:
COc1cc2C\C(=C/c3ccc(CN(C)C)cc3)C(=O)c2cc1OC
Structure:
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