Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50029945
Substrate
n/a
Meas. Tech.
ChEMBL_1627946 (CHEMBL3870531)
IC50
243±n/a nM
Citation
 Wang, ZM; Cai, P; Liu, QH; Xu, DQ; Yang, XL; Wu, JJ; Kong, LY; Wang, XB Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem 123:282-297 (2016) [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:
BDBM50029945
Synonyms:
5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-ylmethyl]-indan-1-one; hydrochloride | CHEMBL353468 | CHEMBL538069
Type:
Small organic molecule
Emp. Form.:
C25H31NO3
Mol. Mass.:
393.5185
SMILES:
COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: