Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM226186
Substrate
n/a
Meas. Tech.
Acetylcholinesterase Inhibitory Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
76870±1350 nM
Comments
extracted
Citation
 Nguyen, DH; Seo, UM; Zhao, BT; Le, DD; Seong, SH; Choi, JS; Min, BS; Woo, MH Ellagitannin and flavonoid constituents from Agrimonia pilosa Ledeb. with their protein tyrosine phosphatase and acetylcholinesterase inhibitory activities Bioorg Chem 72:293-300 (2017)  
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:
BDBM226186
Synonyms:
Luteolin 7-O-β-D-glucuronide butyl ester (16)
Type:
Small organic molecule
Emp. Form.:
C25H26O13
Mol. Mass.:
534.4661
SMILES:
O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |r|
Structure:
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