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Target
Acetylcholinesterase
Ligand
BDBM50004041
Substrate
n/a
Meas. Tech.
ChEMBL_28928 (CHEMBL857056)
IC50
239.88±n/a nM
Citation
 Tong, W; Collantes, ER; Chen, Y; Welsh, WJ A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors. J Med Chem 39:380-7 (1996) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache
Type:
Enzyme
Mol. Mass.:
68165.65
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50004041
Synonyms:
2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-nitroisoindoline-1,3-dione | 2-{2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-ethyl}-5-nitro-isoindole-1,3-dione | CHEMBL123909
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O4
Mol. Mass.:
427.881
SMILES:
[O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: