tirabrutinib [Ligand Id: 9265] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL4071161 (Gs-4059, GS-4059, Ono-4059, ONO-4059, ONO-4059(FREE BASE), Tirabrutinib, Velexbru) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
| ChEMBL | Inhibition of EGFR autophosphorylation at Tyr1068 residue in EGFR-amplified human A-431 cells preincubated with compound for 1 hrs followed by stimulation with human recombinant EGF and measured after 10 mins by HTRF-based analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4025-4044 [PMID:36912866] |
| ChEMBL | Inhibition of EGFR (unknown origin) | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| Platelet glycoprotein VI (GPVI) in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308912] [UniProtKB: Q9HCN6] | ||||||||
| ChEMBL | Inhibition of GP6 in human whole blood assessed as protein-mediated platelet aggregation preincubated for 15 mins followed by collagen stimulation and measured for 10 mins by multiple electrode aggregometry | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2020) 63: 12213-12242 [PMID:32463237] |
| erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 6.21 | pKd | 610 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of ERBB2 (unknown origin) | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| erb-b2 receptor tyrosine kinase 4/Receptor protein-tyrosine kinase erbB-4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3009] [GtoPdb: 1799] [UniProtKB: Q15303] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant ERBB4 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 5 | pKd | >10000 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of ERBB4 (unknown origin) | B | 6 | pIC50 | 991 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| BLK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase BLK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2250] [GtoPdb: 1940] [UniProtKB: P51451] | ||||||||
| ChEMBL | Inhibition of BLK (unknown origin) | B | 5.95 | pIC50 | 1133 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| BMX non-receptor tyrosine kinase/Tyrosine-protein kinase BMX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3834] [GtoPdb: 1942] [UniProtKB: P51813] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant BMX (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 7.33 | pKd | 47 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of BMX (unknown origin) | B | 8.37 | pIC50 | 4.3 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| Bruton tyrosine kinase/Tyrosine-protein kinase BTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5251] [GtoPdb: 1948] [UniProtKB: Q06187] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant BTK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 7.85 | pKd | 14 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM). | B | 5.78 | pIC50 | 1662 | nM | IC50 | US-9199997-B2. Purinone derivative hydrochloride (2015) |
| ChEMBL | Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM). | B | 5.98 | pIC50 | 1057 | nM | IC50 | US-9199997-B2. Purinone derivative hydrochloride (2015) |
| ChEMBL | Inhibition of BTK in human basophils assessed as reduction in anti-IgE mouse IgG1 antibody Le2-stimulated CD63 expression on basophil preincubated for 30 mins in presence of IgE antibody B11 followed by anti-IgE mouse IgG1 antibody Le2 stimulation and measured after 15 mins by flow cytometry | B | 6.44 | pIC50 | 363 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of BTK in human whole blood derived-basophils assessed as suppression of IgE mediated-FcepsilonR ligation-stimulated CD63 expression | B | 6.51 | pIC50 | 312.3 | nM | IC50 | J Med Chem (2018) 61: 2227-2245 [PMID:29457982] |
| ChEMBL | Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by anti-IgM antibody/IL4 stimulation and measured after 16 hrs by flow cytometry | B | 6.88 | pIC50 | 132 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr followed by IgM stimulation for 18 hrs by FACS analysis | B | 6.99 | pIC50 | 103 | nM | IC50 | J Med Chem (2018) 61: 2227-2245 [PMID:29457982] |
| ChEMBL | Inhibition of BTK phosphorylation at Tyr 223 residue in human Ramos cell incubated for 3 hrs by HTRF-based analysis | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2023) 66: 4025-4044 [PMID:36912866] |
| ChEMBL | Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HTRF assay | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of BTK (unknown origin) | B | 8.25 | pIC50 | 5.6 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| ChEMBL | Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay | B | 8.28 | pIC50 | 5.2 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| GtoPdb | - | - | 8.4 | pIC50 | 4 | nM | IC50 | WO2011152351. Purinone derivative (2011) |
| IL2 inducible T cell kinase/Tyrosine-protein kinase ITK/TSK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2959] [GtoPdb: 2046] [UniProtKB: Q08881] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant ITK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 5 | pKd | >10000 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of ITK (unknown origin) | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333] | ||||||||
| ChEMBL | Binding affinity to DNA-tagged recombinant JAK3 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis | B | 5 | pKd | >10000 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
| ChEMBL | Inhibition of JAK3 (unknown origin) | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239] | ||||||||
| ChEMBL | Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM). | B | 6.43 | pIC50 | 375 | nM | IC50 | US-9199997-B2. Purinone derivative hydrochloride (2015) |
| tec protein tyrosine kinase/Tyrosine-protein kinase TEC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4246] [GtoPdb: 2238] [UniProtKB: P42680] | ||||||||
| ChEMBL | Inhibition of TEC (unknown origin) | B | 7.11 | pIC50 | 77 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
| ChEMBL | Inhibition of FLAG-tagged TEC autophosphorylation in HEK293 cells incubated for 2 hrs by MSD electrochemiluminescence immunoassay | B | 7.84 | pIC50 | 14.3 | nM | IC50 | J Med Chem (2023) 66: 4025-4044 [PMID:36912866] |
| TXK tyrosine kinase/Tyrosine-protein kinase TXK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4367] [GtoPdb: 2268] [UniProtKB: P42681] | ||||||||
| ChEMBL | Inhibition of TXK (unknown origin) | B | 6.94 | pIC50 | 116 | nM | IC50 | Eur J Med Chem (2022) 229: 114009-114009 [PMID:34839996] |
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]
