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Target
Acetylcholinesterase
Ligand
BDBM50277650
Substrate
n/a
Meas. Tech.
ChEMBL_1718355 (CHEMBL4133355)
IC50
4880±n/a nM
Citation
 Chierrito, TPC; Pedersoli-Mantoani, S; Roca, C; Requena, C; Sebastian-Perez, V; Castillo, WO; Moreira, NCS; Pérez, C; Sakamoto-Hojo, ET; Takahashi, CS; Jiménez-Barbero, J; Cañada, FJ; Campillo, NE; Martinez, A; Carvalho, I From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease. Eur J Med Chem 139:773-791 (2017) [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:
BDBM50277650
Synonyms:
CHEMBL4172587
Type:
Small organic molecule
Emp. Form.:
C27H27N5O3
Mol. Mass.:
469.535
SMILES:
COc1cc2C\C(=C/C3CCN(Cc4cc(N=[N+]=[N-])c5ccccc5n4)CC3)C(=O)c2cc1OC
Structure:
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