scutellarein [Ligand Id: 12463] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL55415 (5,6,7,4'-Tetrahydroxyflavone, 6-Hydroxyapigenin, Scutellarein) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 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 | 4.42 | pIC50 | 38200 | 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 | 4.92 | pKi | 12022.64 | nM | Ki | J Med Chem (2001) 44: 1883-1891 [PMID:11384234] |
| 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 | 5.18 | pIC50 | 6610 | nM | IC50 | US-20140309185-A1. Inhibiting G-protein coupled receptor 6 kinase polypeptides (2014) |
| enhancer of zeste 1 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189116] [GtoPdb: 2835] [UniProtKB: Q92800] | ||||||||
| ChEMBL | Inhibition of Ezh1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay | B | 5.06 | pIC50 | 8770 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
| lysine methyltransferase 2A/Histone-lysine N-methyltransferase MLL in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293299] [GtoPdb: 2688] [UniProtKB: Q03164] | ||||||||
| ChEMBL | Inhibition of MLL1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay | B | 5.53 | pIC50 | 2920 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
| nuclear receptor binding SET domain protein 2/Histone-lysine N-methyltransferase NSD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108645] [GtoPdb: 3220] [UniProtKB: O96028] | ||||||||
| ChEMBL | Inhibition of NSD2 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold SAM was added measured by radioisotope assay | B | 5.58 | pIC50 | 2650 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
| SET domain containing 7, histone lysine methyltransferase/Histone-lysine N-methyltransferase SETD7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5523] [GtoPdb: 2703] [UniProtKB: Q8WTS6] | ||||||||
| ChEMBL | Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to control | B | 5.71 | pIC50 | 1960 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
| Histone-lysine N-methyltransferase SMYD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321643] [UniProtKB: Q9H7B4] | ||||||||
| ChEMBL | Inhibition of SMYD3 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold SAM was added measured after 1 hr by radioisotope assay | B | 4.74 | pIC50 | 18230 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
| Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 1.16 | pIC50 | 1.16 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] | ||||||||
| ChEMBL | Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay | B | 4.79 | pEC50 | 16400 | nM | EC50 | J Nat Prod (2014) 77: 1594-1600 [PMID:24955889] |
| pyruvate kinase M1/2/Pyruvate kinase isozymes M1/M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075189] [GtoPdb: 3006] [UniProtKB: P14618] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in presence of ADP by spectrophotometric based LDH enzyme coupled assay | B | 4 | pIC50 | 100000 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 5404-5408 [PMID:29157862] |
| ChEMBL | Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in presence of ADP by spectrophotometric based LDH enzyme coupled assay | B | 4.9 | pIC50 | 12500 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 5404-5408 [PMID:29157862] |
| ChEMBL | Inhibition of PKM2 (unknown origin) Lys207, Hie78, Asp177, Asn75, Thr129, Gly128, Arg73 residues | B | 4.9 | pIC50 | 12500 | nM | IC50 | J Med Chem (2022) 65: 1171-1205 [PMID:34726055] |
| 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 | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 87-93 [PMID:26602279] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13 in SARS-CoV-2 [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1, P0DTD1, P0DTD1, P0DTD1] | ||||||||
| GtoPdb | Inhibition of dsRNA unwinding activity; wildtype nsp13 | - | 5.52 | pIC50 | 3000 | nM | IC50 | SLAS Discov (2024) 29: 100145 [PMID:38301954] |
| 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 | Inhibition of N-terminal full length GST-tagged SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) by using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay | B | 5.24 | pIC50 | 5800 | nM | IC50 | Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162] |
| Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6] | ||||||||
| ChEMBL | Inhibition of human salivary alpha-amylase | B | 5.02 | pIC50 | 9640 | nM | IC50 | J Med Chem (2008) 51: 3555-3561 [PMID:18507367] |
| neuraminidase 2/Sialidase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3200] [GtoPdb: 3258] [UniProtKB: Q9Y3R4] | ||||||||
| ChEMBL | Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay | B | 4.26 | pIC50 | 55000 | nM | IC50 | Bioorg Med Chem (2010) 18: 1633-1640 [PMID:20097567] |
| OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956] | ||||||||
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 6.46 | pIC50 | 350 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 6.46 | pIC50 | 346.74 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| 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] |
| Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457] | ||||||||
| ChEMBL | Inhibition of cow milk xanthine oxidase | B | 4.9 | pIC50 | 12600 | nM | IC50 | J Nat Prod (1988) 51: 345-348 [PMID:3379415] |
| TRPM8 in Human [GtoPdb: 500] [UniProtKB: Q7Z2W7] | ||||||||
| GtoPdb | - | - | 5.77 | pIC50 | 1700 | nM | IC50 | J Nat Med (2021) 75: 717-725 [PMID:33877504] |
| TAS2R39 in Human [GtoPdb: 675] [UniProtKB: P59534] | ||||||||
| GtoPdb | - | - | 4.39 | pEC50 | 40300 | nM | EC50 | J Agric Food Chem (2013) 61: 10454-66 [PMID:24117141] |
ChEMBL data shown on this page come from version 35:
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]
