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Target
Acetylcholinesterase
Ligand
BDBM50154649
Substrate
n/a
Meas. Tech.
ChEMBL_745138 (CHEMBL1772317)
IC50
114±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_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50154649
Synonyms:
4-hexahydro-1-pyridinyl-1-[2-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)-(1S,2S)-cyclopropylmethyl]pyridinium; dibromide | CHEMBL186589
Type:
Small organic molecule
Emp. Form.:
C28H36N4
Mol. Mass.:
428.6111
SMILES:
C(c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-2.65,-3.58,;-1.33,-4.34,;-1.33,-5.89,;,-6.65,;1.34,-5.89,;1.34,-4.32,;2.68,-3.55,;2.66,-2.01,;3.97,-1.24,;3.97,.3,;2.66,1.05,;1.31,.27,;1.34,-1.27,;2.64,2.58,;3.97,3.35,;3.97,4.89,;2.66,5.64,;1.34,4.89,;1.34,3.33,;,-3.55,;-2.65,-2.01,;-1.31,-1.24,;-1.33,.3,;-2.65,1.07,;-3.99,.3,;-3.99,-1.24,;-2.66,2.61,;-1.33,3.36,;-1.35,4.89,;-2.66,5.65,;-4.01,4.89,;-4.01,3.35,)|
Structure:
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