Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50048577
Substrate
n/a
Meas. Tech.
ChEMBL_29223 (CHEMBL641389)
IC50
>100000±n/a nM
Citation
 Klein, JT; Davis, L; Olsen, GE; Wong, GS; Huger, FP; Smith, CP; Petko, WW; Cornfeldt, M; Wilker, JC; Blitzer, RD; Landau, E; Haroutunian, V; Martin, LL; Effland, RC Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease. J Med Chem 39:570-81 (1996) [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:
BDBM50048577
Synonyms:
(5-Chloro-indol-1-yl)-propyl-pyridin-4-yl-amine | CHEMBL155460
Type:
Small organic molecule
Emp. Form.:
C16H16ClN3
Mol. Mass.:
285.771
SMILES:
CCCN(c1ccncc1)n1ccc2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: