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Target
Acetylcholinesterase
Ligand
BDBM50110325
Substrate
n/a
Meas. Tech.
ChEMBL_1511667 (CHEMBL3607335)
IC50
6710±n/a nM
Citation
 Mehr-un-Nisa, na; Munawar, MA; Chattha, FA; Kousar, S; Munir, J; Ismail, T; Ashraf, M; Khan, MA Synthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors. Bioorg Med Chem 23:6014-24 (2015) [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:
BDBM50110325
Synonyms:
CHEMBL3605423
Type:
Small organic molecule
Emp. Form.:
C27H26ClFN4O
Mol. Mass.:
476.973
SMILES:
CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(Cl)cc1)c1ccc(F)cc1 |r|
Structure:
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