| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50539576 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1978343 (CHEMBL4611478) |
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| IC50 | 108±n/a nM |
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| Citation |  Aoyama, H; Doura, T Selective acetylcholinesterase inhibitors derived from muscle relaxant dantrolene. Bioorg Med Chem Lett30:0 (2020) [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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| BDBM50539576 |
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| n/a |
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| Name | BDBM50539576 |
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| Synonyms: | CHEMBL4639168 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H32N4O4 |
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| Mol. Mass. | 500.5888 |
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| SMILES | COc1ccc(cc1)-c1ccc(\C=N\N2CC(=O)N(CCC3CCN(Cc4ccccc4)CC3)C2=O)o1 |
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| Structure | 
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