| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50587063 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2170777 (CHEMBL5055911) |
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| IC50 | 5.1±n/a nM |
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| Citation |  Rossi, M; Freschi, M; de Camargo Nascente, L; Salerno, A; de Melo Viana Teixeira, S; Nachon, F; Chantegreil, F; Soukup, O; Prchal, L; Malaguti, M; Bergamini, C; Bartolini, M; Angeloni, C; Hrelia, S; Soares Romeiro, LA; Bolognesi, ML Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease. J Med Chem64:4972-4990 (2021) [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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| BDBM50587063 |
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| n/a |
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| Name | BDBM50587063 |
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| Synonyms: | CHEMBL5077234 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H37ClN2O2 |
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| Mol. Mass. | 481.069 |
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| SMILES | COc1cc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc(OC)c1 |
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| Structure | 
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