Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50308280
Substrate
n/a
Meas. Tech.
ChEMBL_613843 (CHEMBL1067133)
Ki
61.1±n/a nM
Citation
 Rizzo, S; Bartolini, M; Ceccarini, L; Piazzi, L; Gobbi, S; Cavalli, A; Recanatini, M; Andrisano, V; Rampa, A Targeting Alzheimer's disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238. Bioorg Med Chem 18:1749-60 (2010) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50308280
Synonyms:
2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-piperidin-1-yl-pentyloxy)-3,4-dihydro-2H-naphthalen-1-one | CHEMBL599644
Type:
Small organic molecule
Emp. Form.:
C36H44N2O2
Mol. Mass.:
536.7468
SMILES:
CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
Structure:
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