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Target
Acetylcholinesterase
Ligand
BDBM50154640
Substrate
n/a
Meas. Tech.
ChEMBL_745140 (CHEMBL1772319)
IC50
75±n/a nM
Citation
 Conejo-García, A; Pisani, L; Núñez, Mdel C; Catto, M; Nicolotti, O; Leonetti, F; Campos, JM; Gallo, MA; Espinosa, A; Carotti, A Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity. J Med Chem 54:2627-45 (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:
BDBM50154640
Synonyms:
4-hexahydro-1-pyridinyl-1-[4-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)benzyl]pyridinium; dibromide | CHEMBL188821
Type:
Small organic molecule
Emp. Form.:
C28H36N4
Mol. Mass.:
428.6111
SMILES:
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(4.21,-2.95,;2.68,-2.95,;1.91,-4.28,;.37,-4.28,;-.39,-2.95,;-1.93,-2.95,;-2.71,-1.62,;-2.68,-.1,;-4.01,.72,;-5.34,-.03,;-5.38,-1.57,;-4.05,-2.36,;-6.67,.76,;-6.64,2.3,;-7.95,3.1,;-9.3,2.37,;-9.33,.83,;-8.02,.02,;.37,-1.62,;1.91,-1.62,;4.98,-1.62,;3.65,-.87,;3.64,.67,;4.98,1.45,;6.31,.69,;6.31,-.85,;4.97,2.98,;6.31,3.75,;6.3,5.27,;4.98,6.06,;3.65,5.27,;3.65,3.73,)|
Structure:
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