Target
Acetylcholinesterase
Ligand
BDBM50037165
Substrate
n/a
Meas. Tech.
ChEMBL_29232 (CHEMBL641566)
IC50
1330±n/a nM
Citation
 Ishihara, YHirai, KMiyamoto, MGoto, G Central cholinergic agents. 6. Synthesis and evaluation of 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepi n-8-yl)-1-propanones and their analogs as central selective acetylcholinesterase inhibitors. J Med Chem 37:2292-9 (1994) [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:
BDBM50037165
Synonyms:
3-(1-Benzyl-piperidin-4-yl)-1-(1-propyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one | 3-(1-benzylpiperidin-4-yl)-1-(1-propyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one | CHEMBL307513
Type:
Small organic molecule
Emp. Form.:
C28H38N2O
Mol. Mass.:
418.6141
SMILES:
CCCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: