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Target
Acetylcholinesterase
Ligand
BDBM50514061
Substrate
n/a
Meas. Tech.
ChEMBL_1855535 (CHEMBL4356264)
IC50
32±n/a nM
Citation
 Scheiner, M; Dolles, D; Gunesch, S; Hoffmann, M; Nabissi, M; Marinelli, O; Naldi, M; Bartolini, M; Petralla, S; Poeta, E; Monti, B; Falkeis, C; Vieth, M; Hübner, H; Gmeiner, P; Maitra, R; Maurice, T; Decker, M Dual-Acting Cholinesterase-Human Cannabinoid Receptor 2 Ligands Show Pronounced Neuroprotection in Vitro and Overadditive and Disease-Modifying Neuroprotective Effects in Vivo. J Med Chem 62:9078-9102 (2019) [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:
BDBM50514061
Synonyms:
CHEMBL4473438
Type:
Small organic molecule
Emp. Form.:
C38H45N5O2
Mol. Mass.:
603.7962
SMILES:
CCOc1ccc(Cc2nc3cc(ccc3n2CCCCNc2c3CCCCc3nc3ccccc23)C(=O)N(CC)CC)cc1
Structure:
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