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Target
Acetylcholinesterase
Ligand
BDBM50028694
Substrate
n/a
Meas. Tech.
ChEMBL_1439857 (CHEMBL3387411)
IC50
38±n/a nM
Citation
 Nepovimova, E; Uliassi, E; Korabecny, J; Peña-Altamira, LE; Samez, S; Pesaresi, A; Garcia, GE; Bartolini, M; Andrisano, V; Bergamini, C; Fato, R; Lamba, D; Roberti, M; Kuca, K; Monti, B; Bolognesi, ML Multitarget drug design strategy: quinone-tacrine hybrids designed to block amyloid-ß aggregation and to exert anticholinesterase and antioxidant effects. J Med Chem 57:8576-89 (2014) [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:
BDBM50028694
Synonyms:
CHEMBL3356954
Type:
Small organic molecule
Emp. Form.:
C26H24ClN3O2
Mol. Mass.:
445.941
SMILES:
ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1|
Structure:
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