Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50343337
Substrate
n/a
Meas. Tech.
ChEMBL_745440 (CHEMBL1775596)
IC50
144±n/a nM
Citation
 Belluti, F; Bartolini, M; Bottegoni, G; Bisi, A; Cavalli, A; Andrisano, V; Rampa, A Benzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Eur J Med Chem 46:1682-93 (2011) [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:
BDBM50343337
Synonyms:
CHEMBL1773486 | {4-[(Benzylmethylamino)methyl]phenyl}-[4-(5-diethylaminopentyloxy)phenyl]methanone
Type:
Small organic molecule
Emp. Form.:
C31H40N2O2
Mol. Mass.:
472.6615
SMILES:
CCN(CC)CCCCCOc1ccc(cc1)C(=O)c1ccc(CN(C)Cc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: