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Target
Acetylcholinesterase
Ligand
BDBM50298402
Substrate
n/a
Meas. Tech.
ChEMBL_588496 (CHEMBL1041236)
IC50
9.66±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:
BDBM50298402
Synonyms:
(+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrahydro-12-ylamino-9-methyl-7,11-methanocyclooctan[b]-quinoline | CHEMBL583920
Type:
Small organic molecule
Emp. Form.:
C19H21ClN2O
Mol. Mass.:
328.836
SMILES:
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1|
Structure:
Search PDB for entries with ligand similarity: