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Target
Acetylcholinesterase
Ligand
BDBM50560223
Substrate
n/a
Meas. Tech.
ChEMBL_2071578 (CHEMBL4727112)
IC50
0.440000±n/a nM
Citation
 Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6. J Med Chem 63:9360-9390 (2020) [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:
BDBM50560223
Synonyms:
CHEMBL4796461
Type:
Small organic molecule
Emp. Form.:
C33H44ClN3O3
Mol. Mass.:
566.174
SMILES:
COc1cc2OC(C)(CCNCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O
Structure:
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