baicalein [Ligand Id: 5144] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL8260 (NSC-661431, Baicalein)
  • 12S-LOX/Arachidonate 12-lipoxygenase in Human [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
  • 15-LOX-1/Arachidonate 12-lipoxygenase in Rat [ChEMBL: CHEMBL2741] [GtoPdb: 1388] [UniProtKB: Q02759]
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  • 15-LOX-1/Arachidonate 15-lipoxygenase in Human [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
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  • 15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
  • 15-LOX-2/Arachidonate 15-lipoxygenase, type II in Rat [ChEMBL: CHEMBL3289] [GtoPdb: 1389] [UniProtKB: Q8K4F2]
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  • 5-LOX/Arachidonate 5-lipoxygenase in Rat [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
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  • G protein-coupled receptor kinase 6 in Human [ChEMBL: CHEMBL6144] [GtoPdb: 1470] [UniProtKB: P43250]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • lysine demethylase 4E/Lysine-specific demethylase 4D-like in Human [ChEMBL: CHEMBL1293226] [GtoPdb: 2679] [UniProtKB: B2RXH2]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • prolyl endopeptidase/Prolyl endopeptidase in Human [ChEMBL: CHEMBL3202] [GtoPdb: 2395] [UniProtKB: P48147]
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  • RTP Type S/Receptor-type tyrosine-protein phosphatase S in Human [ChEMBL: CHEMBL2396508] [GtoPdb: 1866] [UniProtKB: Q13332]
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  • Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7]
  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 31253139] [UniProtKB: P0DTD1]
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  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
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  • Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
  • Xanthine dehydrogenase in Bovine [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
12S-LOX/Arachidonate 12-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
ChEMBL Inhibition of human platelet-type 12-lipoxygenase B 5.8 pKi 1600 nM Ki J. Med. Chem. (2011) 54: 5485-5497 [PMID:21739938]
ChEMBL Inhibition of 12-hLO B 6.07 pIC50 860 nM IC50 Bioorg. Med. Chem. (2007) 15: 7408-7425 [PMID:17869117]
15-LOX-1/Arachidonate 12-lipoxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2741] [GtoPdb: 1388] [UniProtKB: Q02759]
ChEMBL Inhibitory activity against 12-lipoxygenase in rat platelet rich plasma B 7.82 pIC50 15 nM IC50 J. Med. Chem. (1991) 34: 1503-1505 [PMID:2016727]
15-LOX-1/Arachidonate 15-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
ChEMBL Inhibition of human 15-lipoxygenase B 6.22 pKi 600 nM Ki J. Med. Chem. (2011) 54: 5485-5497 [PMID:21739938]
ChEMBL Inhibition of 15-hLO1 B 5.04 pIC50 9100 nM IC50 Bioorg. Med. Chem. (2007) 15: 7408-7425 [PMID:17869117]
15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
ChEMBL Inhibition of 15-hLO2 B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. (2007) 15: 7408-7425 [PMID:17869117]
15-LOX-2/Arachidonate 15-lipoxygenase, type II in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3289] [GtoPdb: 1389] [UniProtKB: Q8K4F2]
ChEMBL Inhibitory activity against 15-lipoxygenase in rat polymorphonuclear leukocytes B 6.59 pIC50 260 nM IC50 J. Med. Chem. (1991) 34: 1503-1505 [PMID:2016727]
5-LOX/Arachidonate 5-lipoxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
ChEMBL In vitro inhibition of LTB4 production was measured in rat blood F 5 pIC50 10000 nM IC50 J. Med. Chem. (1991) 34: 1028-1036 [PMID:1848292]
ChEMBL Inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes B 5 pIC50 >10000 nM IC50 J. Med. Chem. (1991) 34: 1503-1505 [PMID:2016727]
cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907602] [GtoPdb: 1961] [UniProtKB: P06493P14635]
ChEMBL Inhibition of Cdk1/cyclin B B 5.19 pIC50 6530 nM IC50 Bioorg. Med. Chem. (2008) 16: 7128-7133 [PMID:18639462]
GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419416404410414412408406405411407417409413415418] [UniProtKB: O00591O14764P14867P18505P18507P28472P31644P34903P47869P47870P48169P78334Q16445Q8N1C3Q99928Q9UN88]
ChEMBL Binding affinity towards benzodiazepine site in GABAA receptor B 5.25 pKi 5623.41 nM Ki J. Med. Chem. (2001) 44: 1883-1891 [PMID:11384234]
Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760]
ChEMBL Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system B 4.96 pIC50 11000 nM IC50 Bioorg. Med. Chem. (2008) 16: 3969-3975 [PMID:18258440]
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97]
ChEMBL Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins B 4.55 pIC50 28200 nM IC50 ACS Med. Chem. Lett. (2012) 3: 165-169 [PMID:24900447]
ChEMBL Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay F 4.64 pEC50 22700 nM EC50 ACS Med. Chem. Lett. (2012) 3: 165-169 [PMID:24900447]
ChEMBL Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay F 4.99 pEC50 10300 nM EC50 ACS Med. Chem. Lett. (2012) 3: 165-169 [PMID:24900447]
G protein-coupled receptor kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6144] [GtoPdb: 1470] [UniProtKB: P43250]
ChEMBL Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide substrate peptide-216 incubated for 7 hrs B 5.06 pIC50 8700 nM IC50 US-20140309185-A1. Inhibiting G-protein coupled receptor 6 kinase polypeptides (2014)
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
ChEMBL Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis B 5.12 pIC50 7500 nM IC50 Bioorg. Med. Chem. (2014) 22: 3146-3158 [PMID:24794743]
ChEMBL IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration B 5.37 pIC50 4300 nM IC50 J. Med. Chem. (1995) 38: 890-897 [PMID:7699704]
ChEMBL Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay B 5.57 pIC50 2700 nM IC50 Bioorg. Med. Chem. (2014) 22: 3146-3158 [PMID:24794743]
ChEMBL IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage B 5.92 pIC50 1200 nM IC50 J. Med. Chem. (1995) 38: 890-897 [PMID:7699704]
ChEMBL Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis B 6.11 pIC50 780 nM IC50 Bioorg. Med. Chem. (2014) 22: 3146-3158 [PMID:24794743]
lysine demethylase 4E/Lysine-specific demethylase 4D-like in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293226] [GtoPdb: 2679] [UniProtKB: B2RXH2]
ChEMBL Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate B 5.36 pKi 4330 nM Ki Bioorg. Med. Chem. (2011) 19: 3625-3636 [PMID:21596573]
ChEMBL Inhibition of JMJD2E B 5.52 pIC50 3000 nM IC50 Bioorg. Med. Chem. (2011) 19: 3625-3636 [PMID:21596573]
ChEMBL Inhibition of N-terminal His-6-tagged human JMJD2E (1 to 337 residues) expressed in Escherichia coli by MALDI-TOF/MS analysis B 5.52 pIC50 3000 nM IC50 MedChemComm (2012) 3: 135-161
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) B 4.9 pIC50 12500 nM IC50 Bioorg Med Chem (2019) 27: 370-374 [PMID:30552007]
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in KB/MDR cells F 4.39 pIC50 41000 nM IC50 J. Med. Chem. (2004) 47: 5555-5566 [PMID:15481991]
prolyl endopeptidase/Prolyl endopeptidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3202] [GtoPdb: 2395] [UniProtKB: P48147]
ChEMBL Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli B 4.44 pIC50 36000 nM IC50 Bioorg. Med. Chem. (2008) 16: 7516-7524 [PMID:18650094]
RTP Type S/Receptor-type tyrosine-protein phosphatase S in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2396508] [GtoPdb: 1866] [UniProtKB: Q13332]
ChEMBL Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis B 4.99 pIC50 10300 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 87-93 [PMID:26602279]
Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7]
ChEMBL MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate F 5 pIC50 >10000 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 31253139] [UniProtKB: P0DTD1]
ChEMBL SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate F 7.7 pIC50 20 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
Sucrase-isomaltase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2748] [UniProtKB: P14410]
ChEMBL Inhibition of sucrase B 4.28 pIC50 52000 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 1659-1662 [PMID:18255289]
ChEMBL Inhibition of human intestinal sucrase in human Caco-2 cell membrane B 4.46 pIC50 35000 nM IC50 J. Nat. Prod. (1998) 61: 1413-1415 [PMID:9834167]
Sucrase-isomaltase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3114] [UniProtKB: P23739]
ChEMBL Inhibition of rat intestinal sucrase B 4.28 pIC50 52000 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 812-815 [PMID:18039578]
fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
ChEMBL Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay B 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 1768-1770 [PMID:23411073]
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat Artery myocytes F 4.07 pIC50 85100 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry B 5.55 pIC50 2790 nM IC50 J. Nat. Prod. (1998) 61: 71-76 [PMID:9461655]
Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed using xanthine as substrate after 10 mins by fluorometric assay B 4.15 pIC50 71500 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of cow milk xanthine oxidase B 5.48 pIC50 3300 nM IC50 J. Nat. Prod. (1988) 51: 345-348 [PMID:3379415]

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]