Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50318727 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_633769 (CHEMBL1119333) |
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IC50 | 0.52±n/a nM |
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Citation | Lv, W; Xue, Y Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods. Eur J Med Chem45:1167-72 (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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BDBM50318727 |
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n/a |
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Name | BDBM50318727 |
Synonyms: | 3-((methyl(7-(3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydrobenzofuran-6-yloxy)heptyl)amino)methyl)phenyl methylcarbamate | CHEMBL1085932 |
Type | Small organic molecule |
Emp. Form. | C32H36N2O8 |
Mol. Mass. | 576.6368 |
SMILES | CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(O)c(O)c(O)c2)c1 |w:31.33| |
Structure |
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