Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50267186
Substrate
n/a
Meas. Tech.
ChEMBL_564482 (CHEMBL955214)
IC50
99.1±n/a nM
Citation
 Jia, P; Sheng, R; Zhang, J; Fang, L; He, Q; Yang, B; Hu, Y Design, synthesis and evaluation of galanthamine derivatives as acetylcholinesterase inhibitors. Eur J Med Chem 44:772-84 (2009) [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:
BDBM50267186
Synonyms:
10-N-Demethyl-10-N-(4-(4-(morpholinomethyl)phenoxy) butan-1-yl)-galanthamine | CHEMBL515550
Type:
Small organic molecule
Emp. Form.:
C31H40N2O5
Mol. Mass.:
520.6597
SMILES:
COc1ccc2CN(CCCCOc3ccc(CN4CCOCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
Structure:
Search PDB for entries with ligand similarity: