Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50334317 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_699906 (CHEMBL1646125) |
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IC50 | 17000±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 |
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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BDBM50334317 |
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n/a |
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Name | BDBM50334317 |
Synonyms: | 1,2-bis(4-tert.butylpyridinium)-eth-1,2-diyl dibromide | CHEMBL1642971 |
Type | Small organic molecule |
Emp. Form. | C20H30N2 |
Mol. Mass. | 298.4645 |
SMILES | CC(C)(C)c1cc[n+](CC[n+]2ccc(cc2)C(C)(C)C)cc1 |
Structure |
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