Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50564503
Substrate
n/a
Meas. Tech.
ChEMBL_2088239 (CHEMBL4769502)
IC50
29340±n/a nM
Citation
 Singh, YP; Tej, GNVC; Pandey, A; Priya, K; Pandey, P; Shankar, G; Nayak, PK; Rai, G; Chittiboyina, AG; Doerksen, RJ; Vishwakarma, S; Modi, G Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer's disease. Eur J Med Chem 198:0 (2020) [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:
BDBM50564503
Synonyms:
CHEMBL4786736
Type:
Small organic molecule
Emp. Form.:
C20H22N2O3
Mol. Mass.:
338.4003
SMILES:
COc1cc(\C=C\C(=O)N2CCN(CC2)c2ccccc2)ccc1O
Structure:
Search PDB for entries with ligand similarity: