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Target
Acetylcholinesterase
Ligand
BDBM50157597
Substrate
n/a
Meas. Tech.
ChEMBL_462117 (CHEMBL945890)
IC50
3.3±n/a nM
Citation
 Cavalli, A; Bolognesi, ML; Minarini, A; Rosini, M; Tumiatti, V; Recanatini, M; Melchiorre, C Multi-target-directed ligands to combat neurodegenerative diseases. J Med Chem 51:347-72 (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:
BDBM50157597
Synonyms:
6-[ethyl-(2-methoxy-benzyl)-amino]-1-(1'-{6-[ethyl-(2-methoxy-benzyl)-amino]-hexanoyl}-[4,4']bipiperidinyl-1-yl)-hexan-1-one, dioxalate | CHEMBL222904 | CHEMBL254016
Type:
Small organic molecule
Emp. Form.:
C42H66N4O4
Mol. Mass.:
690.9978
SMILES:
CCN(CCCCCC(=O)N1CCC(CC1)C1CCN(CC1)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
Structure:
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