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Target
Acetylcholinesterase
Ligand
BDBM50040162
Substrate
n/a
Meas. Tech.
ChEMBL_1443735 (CHEMBL3380855)
IC50
4740±n/a nM
Citation
 Lee, YH; Shin, MC; Yun, YD; Shin, SY; Kim, JM; Seo, JM; Kim, NJ; Ryu, JH; Lee, YS Synthesis of aminoalkyl-substituted aurone derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem 23:231-40 (2014) [PubMed]  Article
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache
Type:
Enzyme
Mol. Mass.:
68165.65
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50040162
Synonyms:
CHEMBL3359491
Type:
Small organic molecule
Emp. Form.:
C24H28ClNO5
Mol. Mass.:
445.936
SMILES:
Cl.COc1ccc(OC)c(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1
Structure:
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