ravoxertinib [Ligand Id: 9229] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3544964 (Ravoxertinib, GDC-0994, GDC0994, RG-7842, Gdc-0994)
  • mitogen-activated protein kinase kinase 1/Dual specificity mitogen-activated protein kinase kinase 1 in Human [ChEMBL: CHEMBL3587] [GtoPdb: 2062] [UniProtKB: Q02750]
  • This target only has 0 pki data point
  • 0
1 CHEMBL3544964_lig_chart_1 Dual specificity mitogen-activated protein kinase kinase 1 Human
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  • mitogen-activated protein kinase 3/MAP kinase ERK1 in Human [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
  • This target only has 0 pki data point
  • 0
2 CHEMBL3544964_lig_chart_2 MAP kinase ERK1 Human
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  • mitogen-activated protein kinase 1/MAP kinase ERK2 in Human [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482]
  • This target only has 0 pki data point
  • 0
3 CHEMBL3544964_lig_chart_3 MAP kinase ERK2 Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
mitogen-activated protein kinase kinase 1/Dual specificity mitogen-activated protein kinase kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3587] [GtoPdb: 2062] [UniProtKB: Q02750]
ChEMBL Inhibition of MEK1 (unknown origin) B 5 pIC50 >10000 nM IC50 J Med Chem (2017) 60: 3438-3450 [PMID:28376306]
mitogen-activated protein kinase 3/MAP kinase ERK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
ChEMBL Inhibition of ERK1 (unknown origin) B 8.21 pIC50 6.1 nM IC50 J Med Chem (2016) 59: 5650-5660 [PMID:27227380]
ChEMBL Inhibition of ERK1 (unknown origin) B 8.21 pIC50 6.1 nM IC50 J Med Chem (2016) 59: 5650-5660 [PMID:27227380]
GtoPdb - - 8.48 pIC50 3.3 nM IC50 J Med Chem (2016) 59: 5650-60 [PMID:27227380];
WO2013130976. Serine/threonine kinase inhibitors (2013)
ChEMBL Inhibition of ERK1 (unknown origin) B 8.92 pIC50 1.2 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 4047-4056 [PMID:26298497]
mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482]
ChEMBL Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis B 8.8 pKd 1.58 nM Kd J Med Chem (2019) 62: 11004-11018 [PMID:31710489]
ChEMBL Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis B 8.8 pKd 1.58 nM Kd J Med Chem (2019) 62: 11004-11018 [PMID:31710489]
ChEMBL Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated RSK levels B 6.85 pIC50 140 nM IC50 J Med Chem (2017) 60: 3438-3450 [PMID:28376306]
ChEMBL Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated ERK2 levels B 7.07 pIC50 86 nM IC50 J Med Chem (2017) 60: 3438-3450 [PMID:28376306]
ChEMBL Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 μM S/T17 peptide substrate and 25 μM ATP (corresponding to the observed Km) for a total reaction volume of 25 μL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. B 8.48 pIC50 3.3 nM IC50 US-8697715-B2. Serine/threonine kinase inhibitors (2014)
ChEMBL ERK-2 Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100x final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 uM S/T17 peptide substrate and 25 uM ATP (corresponding to the observed Km) for a total reaction volume of 25 uL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. B 8.48 pIC50 3.3 nM IC50 US-9259470-B2. Serine/threonine kinase inhibitors (2016)
ChEMBL Inhibition of ERK2 (unknown origin) B 8.51 pIC50 3.1 nM IC50 J Med Chem (2016) 59: 5650-5660 [PMID:27227380]
ChEMBL Inhibition of ERK2 (unknown origin) B 8.51 pIC50 3.1 nM IC50 J Med Chem (2016) 59: 5650-5660 [PMID:27227380]
GtoPdb - - 8.51 pIC50 3.1 nM IC50 J Med Chem (2016) 59: 5650-60 [PMID:27227380];
WO2013130976. Serine/threonine kinase inhibitors (2013)
ChEMBL Inhibition of ERK2 (unknown origin) B 9.52 pIC50 0.3 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 4047-4056 [PMID:26298497]

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, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]