Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50233374
Substrate
n/a
Meas. Tech.
ChEMBL_463759 (CHEMBL932016)
IC50
5.6±n/a nM
Citation
 Fang, L; Appenroth, D; Decker, M; Kiehntopf, M; Roegler, C; Deufel, T; Fleck, C; Peng, S; Zhang, Y; Lehmann, J Synthesis and biological evaluation of NO-donor-tacrine hybrids as hepatoprotective anti-Alzheimer drug candidates. J Med Chem 51:713-6 (2008) [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:
BDBM50233374
Synonyms:
9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutylamino]-1,2,3,4-tetrahydroacridine | CHEMBL407320 | N-(3-Nitrooxy-propyl)-N'-(1,2,3,4-tetrahydro-acridin-9-yl)-butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C20H28N4O3
Mol. Mass.:
372.4613
SMILES:
[O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: