| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50333779 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_699906 (CHEMBL1646125) |
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| IC50 | 577000±n/a nM |
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| Citation |  Musilek, K; Roder, J; Komloova, M; Holas, O; Hrabinova, M; Pohanka, M; Dohnal, V; Opletalova, V; Kuca, K; Jung, YS Preparation, in vitro screening and molecular modelling of symmetrical 4-tert-butylpyridinium cholinesterase inhibitors--analogues of SAD-128. Bioorg Med Chem Lett21:150-4 (2010) [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 |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM50333779 |
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| n/a |
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| Name | BDBM50333779 |
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| Synonyms: | 1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxapropane; dichloride(Toxogonin) | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxa-propane dichloride | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxapropane dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride(toxogonin) | 4-[(hydroxyimino)methyl]-1-[({4-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | CHEMBL291233 | Obidoxime chloride | Toxogonin | obidoxime |
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| Type | Small organic molecule |
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| Emp. Form. | C14H16N4O3 |
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| Mol. Mass. | 288.3007 |
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| SMILES | O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 |
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| Structure | 
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