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Target
Acetylcholinesterase
Ligand
BDBM50298408
Substrate
n/a
Meas. Tech.
ChEMBL_588496 (CHEMBL1041236)
IC50
5.96±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:
BDBM50298408
Synonyms:
(+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,4-dihydro-6,7-dimethoxy-1-(4-nitrophenyl)isoquinolin-2(1H)-yl)hexyl)-1H-1,2,3-triazol-1-yl)-9-ethyl)-12-amino-6,10-methanocycloocta[b]quinoline | CHEMBL575674
Type:
Small organic molecule
Emp. Form.:
C45H52ClN7O4
Mol. Mass.:
790.392
SMILES:
CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCn1cc(CCCCCCN2CCc3cc(OC)c(OC)cc3C2c2cccc(c2)[N+]([O-])=O)nn1 |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2|
Structure:
Search PDB for entries with ligand similarity: