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Target
Acetylcholinesterase
Ligand
BDBM50298390
Substrate
n/a
Meas. Tech.
ChEMBL_588496 (CHEMBL1041236)
IC50
6450±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:
BDBM50298390
Synonyms:
(+/-)-9-Amino-7-ethyl-2,3-dimethylfuro[2,3-b]-4,5,8,9-tetrahydro-5,9-methanocyclo octan[e]pyridine | CHEMBL583776
Type:
Small organic molecule
Emp. Form.:
C18H22N2O
Mol. Mass.:
282.3801
SMILES:
CCC1=CC2CC(C1)c1c(C2)nc2oc(C)c(C)c2c1N |t:2,TLB:19:8:5:7.3.2,THB:11:9:5:7.3.2,1:2:5:10.9.8|
Structure:
Search PDB for entries with ligand similarity: