tirabrutinib [Ligand Id: 9265] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4071161 (Gs-4059, GS-4059, Ono-4059, ONO-4059, ONO-4059(FREE BASE), Tirabrutinib) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 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] |
| 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] |
| 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] |
| 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 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 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] |
| 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] |
| 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) |
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]
