Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM9408
Substrate
n/a
Meas. Tech.
ChEMBL_28928 (CHEMBL857056)
IC50
34.99±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:
BDBM9408
Synonyms:
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide | CHEMBL544629 | CHEMBL55312 | N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-N-phenyl-benzamide (C4H4O4) | N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide Fumarate | Piperidine Derivative 20
Type:
Small organic molecule
Emp. Form.:
C27H30N2O
Mol. Mass.:
398.5399
SMILES:
O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: