Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50005552 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1338714 (CHEMBL3242185) |
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IC50 | 130000±n/a nM |
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Citation | Kliachyna, M; Santoni, G; Nussbaum, V; Renou, J; Sanson, B; Colletier, JP; Arboléas, M; Loiodice, M; Weik, M; Jean, L; Renard, PY; Nachon, F; Baati, R Design, synthesis and biological evaluation of novel tetrahydroacridine pyridine- aldoxime and -amidoxime hybrids as efficient uncharged reactivators of nerve agent-inhibited human acetylcholinesterase. Eur J Med Chem78:455-67 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Acetylcholinesterase |
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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: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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BDBM50005552 |
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n/a |
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Name | BDBM50005552 |
Synonyms: | CHEMBL141859 | CHEMBL3234594 |
Type | Small organic molecule |
Emp. Form. | C23H26N2S |
Mol. Mass. | 362.531 |
SMILES | C(CCSc1c2CCCCc2nc2ccccc12)CCc1ccccn1 |
Structure |
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