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Target
Acetylcholinesterase
Ligand
BDBM50567300
Substrate
n/a
Meas. Tech.
ChEMBL_2102746 (CHEMBL4811142)
IC50
840±n/a nM
Citation
 Singh, YP; Shankar, G; Jahan, S; Singh, G; Kumar, N; Barik, A; Upadhyay, P; Singh, L; Kamble, K; Singh, GK; Tiwari, S; Garg, P; Gupta, S; Modi, G Further SAR studies on natural template based neuroprotective molecules for the treatment of Alzheimer's disease. Bioorg Med Chem 46:0 (2021) [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:
BDBM50567300
Synonyms:
CHEMBL4866457
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O4
Mol. Mass.:
427.881
SMILES:
COc1cc(\C=C\C(=O)NCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)ccc1O
Structure:
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