baicalein [Ligand Id: 5144] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL8260 (Baicalein, Noroxylin, NSC-661431) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840] | ||||||||
| ChEMBL | Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluorescence assay | B | 5.09 | pIC50 | 8200 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
| 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: P06493, P14635] | ||||||||
| ChEMBL | Inhibition of Cdk1/cyclin B | B | 5.19 | pIC50 | 6530 | nM | IC50 | Bioorg Med Chem (2008) 16: 7128-7133 [PMID:18639462] |
| Fructose-1,6-bisphosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3975] [UniProtKB: P09467] | ||||||||
| ChEMBL | Inhibition of human liver FBP1 incubated for 5 mins by fluorescence method | B | 4.54 | pIC50 | 29000 | nM | IC50 | J Nat Prod (2020) 83: 1541-1552 [PMID:32364726] |
| 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: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
| 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] |
| Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150] | ||||||||
| ChEMBL | Competitive inhibition of glucocorticoid receptor (unknown origin) by fluorescence polarization based competition assay | B | 4.72 | pIC50 | 19000 | nM | IC50 | J Nat Prod (2022) 85: 237-247 [PMID:34935393] |
| 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] |
| Progesterone receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL208] [GtoPdb: 627] [UniProtKB: P06401] | ||||||||
| ChEMBL | Competitive inhibition of progesterone receptor (unknown origin) by fluorescence polarization based competition assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Nat Prod (2022) 85: 237-247 [PMID:34935393] |
| 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/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [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] |
| YES proto-oncogene 1, Src family tyrosine kinase/Tyrosine-protein kinase YES in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073] [GtoPdb: 2284] [UniProtKB: P07947] | ||||||||
| ChEMBL | Inhibition of YES (unknown origin) | B | 5.48 | pIC50 | 3300 | nM | IC50 | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
