Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50004018
Substrate
n/a
Meas. Tech.
ChEBML_28911
IC50
4.2±n/a nM
Citation
 Sugimoto, H; Tsuchiya, Y; Sugumi, H; Higurashi, K; Karibe, N; Iimura, Y; Sasaki, A; Araki, S; Yamanishi, Y; Yamatsu, K Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-(2-phthalimidoethyl)piperidine and related derivatives. J Med Chem 35:4542-8 (1993) [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:
BDBM50004018
Synonyms:
3-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline-2,4(1H,3H)-dione | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-quinazoline-2,4-dione | CHEMBL342413
Type:
Small organic molecule
Emp. Form.:
C22H25N3O2
Mol. Mass.:
363.4528
SMILES:
O=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: