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

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ChEMBL ligand: CHEMBL399121 (Eriodictyol 4'-monomethyl ether, FEMA NO. 4313, (-)-hesperetin, Hesperetin, Hesperitin, 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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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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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 Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 312531393206] [UniProtKB: P0C6X7]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
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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
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate B 6 pIC50 998 nM IC50 HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
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 Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 312531393206] [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]
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of XO (unknown origin) using xanthine as substrate assessed as reduction in uric acid formation by FluoSTAR OPTIMA plate reader analysis B 6.08 pIC50 840 nM IC50 J Med Chem (2023) 66: 14474-14493 [PMID:37908076]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]