| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50023606 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1455127 (CHEMBL3366740) |
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| IC50 | 18±n/a nM |
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| Citation |  Pérez-Areales, FJ; Di Pietro, O; Espargaró, A; Vallverdú-Queralt, A; Galdeano, C; Ragusa, IM; Viayna, E; Guillou, C; Clos, MV; Pérez, B; Sabaté, R; Lamuela-Raventós, RM; Luque, FJ; Muñoz-Torrero, D Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents withß-amyloid and tau anti-aggregating properties. Bioorg Med Chem22:5298-307 (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 |
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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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| BDBM50023606 |
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| n/a |
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| Name | BDBM50023606 |
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| Synonyms: | CHEMBL3355580 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H35ClN2O3 |
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| Mol. Mass. | 579.128 |
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| SMILES | COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)ccc1O |c:24| |
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| Structure | 
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