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Target
Acetylcholinesterase
Ligand
BDBM50388129
Substrate
n/a
Meas. Tech.
ChEMBL_829363 (CHEMBL2060154)
IC50
4360±n/a nM
Citation
 Shinada, M; Narumi, F; Osada, Y; Matsumoto, K; Yoshida, T; Higuchi, K; Kawasaki, T; Tanaka, H; Satoh, M Synthesis of phenserine analogues and evaluation of their cholinesterase inhibitory activities. Bioorg Med Chem 20:4901-14 (2012) [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:
BDBM50388129
Synonyms:
CHEMBL2058979
Type:
Small organic molecule
Emp. Form.:
C22H24FN3O2
Mol. Mass.:
381.4433
SMILES:
CN1CCC2(CC=C)C1N(C)c1ccc(OC(=O)Nc3ccc(F)cc3)cc21
Structure:
Search PDB for entries with ligand similarity: