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Target
Acetylcholinesterase
Ligand
BDBM50394334
Substrate
n/a
Meas. Tech.
ChEMBL_856948 (CHEMBL2160739)
IC50
210700±n/a nM
Citation
 Roy, KK; Tota, S; Tripathi, T; Chander, S; Nath, C; Saxena, AK Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer's disease. Bioorg Med Chem 20:6313-20 (2012) [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:
BDBM50394334
Synonyms:
CHEMBL2159417
Type:
Small organic molecule
Emp. Form.:
C23H19Cl3N2O2
Mol. Mass.:
461.768
SMILES:
Clc1ccc(CN2CCCc3cc(OC(=O)Nc4cccc(Cl)c4)ccc23)c(Cl)c1
Structure:
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