Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50261235
Substrate
n/a
Meas. Tech.
ChEMBL_555909 (CHEMBL956645)
IC50
10500±n/a nM
Citation
 Rizzo, S; Rivière, C; Piazzi, L; Bisi, A; Gobbi, S; Bartolini, M; Andrisano, V; Morroni, F; Tarozzi, A; Monti, JP; Rampa, A Benzofuran-based hybrid compounds for the inhibition of cholinesterase activity, beta amyloid aggregation, and abeta neurotoxicity. J Med Chem 51:2883-6 (2008) [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:
BDBM50261235
Synonyms:
(2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-p-tolylmethanone | CHEMBL455790
Type:
Small organic molecule
Emp. Form.:
C37H39NO3
Mol. Mass.:
545.7105
SMILES:
CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: