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Target
Acetylcholinesterase
Ligand
BDBM50298409
Substrate
n/a
Meas. Tech.
ChEMBL_588496 (CHEMBL1041236)
IC50
3.95±n/a nM
Citation
 Ronco, C; Sorin, G; Nachon, F; Foucault, R; Jean, L; Romieu, A; Renard, PY Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. Bioorg Med Chem 17:4523-36 (2009) [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:
BDBM50298409
Synonyms:
(+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,4-dihydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinolin-2(1H)-yl)hexyl)-1H-1,2,3-triazol-1-yl)-9-methyl)-12-amino-6,10-methanocycloocta[b]quinoline | CHEMBL575802
Type:
Small organic molecule
Emp. Form.:
C44H50ClN7O4
Mol. Mass.:
776.365
SMILES:
COc1cc2CCN(CCCCCCc3cn(CCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)nn3)C(c3cccc(c3)[N+]([O-])=O)c2cc1OC |t:38,TLB:20:21:23:38.35.36,THB:37:36:23:25.26.21,27:26:23:38.35.36|
Structure:
Search PDB for entries with ligand similarity: