Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50280625
Substrate
n/a
Meas. Tech.
ChEBML_28299
IC50
4.5±n/a nM
Citation
 Gregor, VE; Emmerling, MR; Lee, C; Moore, CJ The synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activity of tacrine (Cognex®) derivaties Bioorg Med Chem Lett 2:861-864 (1992)    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:
BDBM50280625
Synonyms:
7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-3-amine | 7-chloro-10-azoniatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-3-amine | CHEMBL352500
Type:
Small organic molecule
Emp. Form.:
C14H13ClN2
Mol. Mass.:
244.719
SMILES:
Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: