| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50039725 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_28150 (CHEMBL644105) |
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| IC50 | 14±n/a nM |
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| Citation |  Villalobos, A; Blake, JF; Biggers, CK; Butler, TW; Chapin, DS; Chen, YL; Ives, JL; Jones, SB; Liston, DR; Nagel, AA Novel benzisoxazole derivatives as potent and selective inhibitors of acetylcholinesterase. J Med Chem37:2721-34 (1994) [PubMed] |
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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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| BDBM50039725 |
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| n/a |
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| Name | BDBM50039725 |
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| Synonyms: | CHEMBL92955 | N-(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-yl)benzenesulfonamide | N-{3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isoxazol-6-yl}-benzene sulfonamide | N-{3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isoxazol-6-yl}-benzenesulfonamide |
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| Type | Small organic molecule |
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| Emp. Form. | C27H29N3O3S |
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| Mol. Mass. | 475.602 |
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| SMILES | O=S(=O)(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1 |
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| Structure | 
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