Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50032398
Substrate
n/a
Meas. Tech.
ChEMBL_29093 (CHEMBL636831)
IC50
26±n/a nM
Citation
 Vidaluc, JL; Calmel, F; Bigg, DC; Carilla, E; Briley, M Flexible 1-[(2-aminoethoxy)alkyl]-3-ar(o)yl(thio)ureas as novel acetylcholinesterase inhibitors. Synthesis and biochemical evaluation. J Med Chem 38:2969-73 (1995) [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:
BDBM50032398
Synonyms:
1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-methoxy-benzoyl)-thiourea | CHEMBL431058 | N-(2-(2-(benzyl(methyl)amino)ethoxy)ethylcarbamothioyl)-4-methoxybenzamide
Type:
Small organic molecule
Emp. Form.:
C21H27N3O3S
Mol. Mass.:
401.522
SMILES:
COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: