Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50497456
Substrate
n/a
Meas. Tech.
ChEMBL_1443169 (CHEMBL3372299)
IC50
426±n/a nM
Citation
 Huang, L; Miao, H; Sun, Y; Meng, F; Li, X Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem 87:429-39 (2014) [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:
BDBM50497456
Synonyms:
CHEMBL3343712
Type:
Small organic molecule
Emp. Form.:
C27H34N2O3
Mol. Mass.:
434.5705
SMILES:
CCN(C)c1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: