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Target
Acetylcholinesterase
Ligand
BDBM50206889
Substrate
n/a
Meas. Tech.
ChEMBL_1629468 (CHEMBL3872094)
IC50
1590±n/a nM
Citation
 Basiri, A; Xiao, M; McCarthy, A; Dutta, D; Byrareddy, SN; Conda-Sheridan, M Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors. Bioorg Med Chem Lett 27:228-231 (2017) [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:
BDBM50206889
Synonyms:
CHEMBL3928840
Type:
Small organic molecule
Emp. Form.:
C32H29NO
Mol. Mass.:
443.5788
SMILES:
Cc1ccc(\C=C2/CN(Cc3ccc4ccccc4c3)C\C(=C/c3ccc(C)cc3)C2=O)cc1
Structure:
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