Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50284043
Substrate
n/a
Meas. Tech.
ChEBML_29226
IC50
14±n/a nM
Citation
 Sasho, S; Obase, H; Ichikawa, S; Yoshizaki, R; Ishii, A; Shuto, K Synthesis and in vitro gastrointestinal motility enhancing activity of 3-aryl-2-imidazolidinylidene propanedinitrile derivatives Bioorg Med Chem Lett 4:615-618 (1994)    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:
BDBM50284043
Synonyms:
2-(1-Phenyl-3-{2-[(5-piperidin-1-ylmethyl-furan-2-ylmethyl)-amino]-ethyl}-imidazolidin-2-ylidene)-malononitrile | CHEMBL345638
Type:
Small organic molecule
Emp. Form.:
C25H30N6O
Mol. Mass.:
430.5453
SMILES:
N#C\[#6](C#N)=[#6]-1/[#7](-[#6]-[#6]-[#7]-[#6]-c2ccc(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)-[#6]-[#6]-[#7]-1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: