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Target
Acetylcholinesterase
Ligand
BDBM50298407
Substrate
n/a
Meas. Tech.
ChEMBL_588496 (CHEMBL1041236)
IC50
810±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:
BDBM50298407
Synonyms:
(+/-)-11-Amino-8-methyl-5,6,9,10-tetrahydro-6,10-methanocyclooctabenzo[b][1,8]naphthyridine | CHEMBL575613
Type:
Small organic molecule
Emp. Form.:
C16H17N3
Mol. Mass.:
251.3263
SMILES:
CC1=CC2CC(C1)c1c(C2)nc2ncccc2c1N |t:1,TLB:17:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1|
Structure:
Search PDB for entries with ligand similarity: