Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50321918
Substrate
n/a
Meas. Tech.
ChEMBL_642168 (CHEMBL1176719)
IC50
14.6±n/a nM
Citation
 Yu, QS; Holloway, HW; Luo, W; Lahiri, DK; Brossi, A; Greig, NH Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem 18:4687-93 (2011) [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:
BDBM50321918
Synonyms:
(3aS)-1,1,3a,8-tetramethyl-5-(o-tolylcarbamoyloxy)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium bromide | CHEMBL1172913
Type:
Small organic molecule
Emp. Form.:
C22H28N3O2
Mol. Mass.:
366.4761
SMILES:
CN1C2[C@@](C)(CC[N+]2(C)C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: