hesperetin [Ligand Id: 10953] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL399121 (NSC-57654)
  • Alpha-glucosidase MAL62 in Saccharomyces cerevisiae [ChEMBL: CHEMBL4357] [UniProtKB: P07265]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
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  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • CoV RNA-dependent RNA polymerase/CoV Replicase polyprotein 1ab/Replicase polyprotein 1ab in SARS coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 31393125] [UniProtKB: P0C6X7]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Alpha-glucosidase MAL62 in Saccharomyces cerevisiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4357] [UniProtKB: P07265]
ChEMBL Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry B 2.18 pIC50 2.18 - logIC50 Med Chem Res (2012) 21: 3984-3993
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
ChEMBL Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 6.99 pKi 102.1 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 8.48 pKi 3.3 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 6.34 pKi 454.1 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of human CYP1B1 by EROD assay B 6.29 pIC50 511 nM IC50 Bioorg. Med. Chem. (2010) 18: 6310-6315 [PMID:20696580]
dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
ChEMBL Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay B 6.55 pIC50 280 nM IC50 Eur J Med Chem (2018) 151: 145-157 [PMID:29609120]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay B 4.57 pIC50 26900 nM IC50 Med Chem Res (2013) 22: 3061-3075
lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
ChEMBL Inhibition of LSD1 (unknown origin) by fluorescence assay B 4.1 pIC50 78760 nM IC50 Bioorg Med Chem (2019) 27: 370-374 [PMID:30552007]
CoV RNA-dependent RNA polymerase/CoV Replicase polyprotein 1ab/Replicase polyprotein 1ab in SARS coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 31393125] [UniProtKB: P0C6X7]
ChEMBL Binding affinity to SARS coronavirus 3C-like protease by SPR analysis B 4.61 pKd 24500 nM Kd Bioorg. Med. Chem. (2013) 21: 3730-3737 [PMID:23647823]
ChEMBL Inhibition of recombinant SARS coronavirus 3C-like protease trans-cleavage activity by ELISA B 4.22 pIC50 60000 nM IC50 Bioorg. Med. Chem. (2013) 21: 3730-3737 [PMID:23647823]
ChEMBL Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells by luciferase reporter gene assay B 5.08 pIC50 8300 nM IC50 Bioorg. Med. Chem. (2013) 21: 3730-3737 [PMID:23647823]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]