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Target
Acetylcholinesterase
Ligand
BDBM50037183
Substrate
n/a
Meas. Tech.
ChEMBL_29233 (CHEMBL641567)
IC50
376±n/a nM
Citation
 Yamamoto, Y; Ishihara, Y; Kuntz, ID Docking analysis of a series of benzylamino acetylcholinesterase inhibitors with a phthalimide, benzoyl, or indanone moiety. J Med Chem 37:3141-53 (1994) [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:
BDBM50037183
Synonyms:
3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one | 3-(1-benzylpiperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one | CHEMBL310467
Type:
Small organic molecule
Emp. Form.:
C27H36N2O
Mol. Mass.:
404.5875
SMILES:
CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Structure:
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