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: CHEMBL1873475 (CRA-032765, PC-32765, PCI-32765-00, PCI 32765, PCI-32765, Ibrutinib, Imbruvica) |
---|
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!
|
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!
|
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 |
---|---|---|---|---|---|---|---|---|
cyclin dependent kinase 2/Cyclin-dependent kinase 2/cyclin E1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907605] [GtoPdb: 1973] [UniProtKB: P24864, P24941] | ||||||||
ChEMBL | Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP | B | 4.6 | pIC50 | >25000 | nM | IC50 | J Med Chem (2019) 62: 4606-4623 [PMID:30943029] |
EPH receptor A2/Ephrin type-A receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2068] [GtoPdb: 1822] [UniProtKB: P29317] | ||||||||
ChEMBL | Inhibition of recombinant human EPHA2 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
ChEMBL | Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 20 mins by HTRF assay | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (2017) 60: 7725-7744 [PMID:28853575] |
ChEMBL | Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 6.91 | pIC50 | 123 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
ChEMBL | Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 15 mins by HTRF assay | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2017) 60: 7725-7744 [PMID:28853575] |
ChEMBL | Inhibition of EGFR L858R/T790M double mutant (unknown origin) by HTRF assay | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2019) 62: 2843-2848 [PMID:30768270] |
ChEMBL | Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD measured after 15 mins in the presence of ATP by LANCE method | B | 7.92 | pIC50 | 12 | nM | IC50 | Eur J Med Chem (2019) 169: 121-143 [PMID:30875504] |
ChEMBL | Inhibition of EGFR (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem (2019) 27: 3390-3395 [PMID:31221612] |
ChEMBL | Inhibition of ErbB1 relative to control | B | 8.25 | pIC50 | 5.6 | nM | IC50 | Bioorg. Med. Chem. Lett. (2011) 21: 6258-6263 [PMID:21958547] |
ChEMBL | Inhibition of EGFR (unknown origin) | B | 8.25 | pIC50 | 5.6 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4171-4175 [PMID:28734581] |
GtoPdb | - | - | 8.28 | pIC50 | 5.3 | nM | IC50 | N Engl J Med (2016) 374: 323-32 [PMID:26641137] |
ChEMBL | Inhibition of wild type EGFR (unknown origin) by HTRF assay | B | 9 | pIC50 | <1 | nM | IC50 | J Med Chem (2019) 62: 2843-2848 [PMID:30768270] |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
fibroblast growth factor receptor 2/Fibroblast growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4142] [GtoPdb: 1809] [UniProtKB: P21802] | ||||||||
ChEMBL | Inhibition Assay: When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences, Inc.) was used as a substrate. The purified recombinant human FGFR2 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration that was 20 times higher than the final concentration. Next, the purified human FGFR2 protein, FL-Peptide 22 (final concentration: 1.5 .mu.M), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 75 .mu.M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25.degree. C. for 120 minutes to perform a kinase reaction. EDTA (final concentration: 30 mM) diluted with a separation buffer. | B | 6.55 | pIC50 | 280 | nM | IC50 | US-9108973-B2. 3,5-disubstituted alkynylbenzene compound and salt thereof (2015) |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Binding affinity to human ERG | B | 5.96 | pKi | 1100 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2939-2944 [PMID:30122225] |
ChEMBL | Inhibition of human ERG | B | 5.96 | pIC50 | 1100 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3307-3311 [PMID:30243592] |
colony stimulating factor 1 receptor/Macrophage colony stimulating factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1844] [GtoPdb: 1806] [UniProtKB: P07333] | ||||||||
ChEMBL | Inhibition of recombinant human CSF1R using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
platelet derived growth factor receptor beta/Platelet-derived growth factor receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1913] [GtoPdb: 1804] [UniProtKB: P09619] | ||||||||
ChEMBL | Inhibition of recombinant human PDGFR-beta using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
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 | 8.92 | pKd | 1.2 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | Inhibition of human recombinant HER2 using biotinyl-beta amyloid beta amyloid beta AAEEEEYFELVAKKK measured after 10 mins in the presence of ATP by HTRF assay | B | 7.66 | pIC50 | 22 | nM | IC50 | Eur J Med Chem (2019) 169: 121-143 [PMID:30875504] |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 8.03 | pIC50 | 9.4 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | Inhibition of Her2 (unknown origin) | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4171-4175 [PMID:28734581] |
ChEMBL | Inhibition of human ErbB2 using using poly (4:1 Glu, Tyr) as substrate measured after 1 hr in presence of [gamma-33P]ATP | B | 8.03 | pIC50 | 9.4 | nM | IC50 | MedChemComm (2018) 9: 697-704 |
GtoPdb | - | - | 8.19 | pIC50 | 6.4 | nM | IC50 | N Engl J Med (2016) 374: 323-32 [PMID:26641137] |
ChEMBL | Inhibition of recombinant human ErbB2 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 8.82 | pIC50 | 1.5 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
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 | 8.62 | pKd | 2.4 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 8.03 | pIC50 | 9.4 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
GtoPdb | - | - | 8.47 | pIC50 | 3.4 | nM | IC50 | N Engl J Med (2016) 374: 323-32 [PMID:26641137] |
ChEMBL | Inhibition of recombinant human ErbB4 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
ChEMBL | Inhibition of HER4 (unknown origin) | B | 9.22 | pIC50 | 0.6 | nM | IC50 | Eur J Med Chem (2019) 169: 121-143 [PMID:30875504] |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 10 | pIC50 | 0.1 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 10 | pIC50 | 0.1 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
Redox-regulatory protein FAM213A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3879824] [UniProtKB: Q9BRX8] | ||||||||
ChEMBL | Inhibition of PF-06658607 binding to recombinant C-terminal FLAG-tagged FAM213A (unknown origin) expressed in HEK293T cells after 1 hr by gel-based ABPP assay | B | 6.05 | pIC50 | 900 | nM | IC50 | Nat Rev Drug Discov (2017) 16: 424-440 [PMID:28280261] |
ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519] | ||||||||
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 7.06 | pIC50 | 86.1 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 7.06 | pIC50 | 86.1 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
BLK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase BLK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2250] [GtoPdb: 1940] [UniProtKB: P51451] | ||||||||
GtoPdb | - | - | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2012) 55: 4539-50 [PMID:22394077] |
ChEMBL | Inhibition of BLK | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J. Med. Chem. (2012) 55: 4539-4550 [PMID:22394077] |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
ChEMBL | Inhibition of recombinant human BLK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
GtoPdb | - | - | 10 | pIC50 | 0.1 | nM | IC50 | N Engl J Med (2016) 374: 323-32 [PMID:26641137] |
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 | 8.8 | pKd | 1.6 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 8.1 | pIC50 | 8 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
ChEMBL | Inhibition of recombinant human BMX using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 8.24 | pIC50 | 5.8 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
ChEMBL | Inhibition of BMX | B | 9.1 | pIC50 | 0.8 | nM | IC50 | J. Med. Chem. (2012) 55: 4539-4550 [PMID:22394077] |
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.1 | pIC50 | 0.8 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 9.1 | pIC50 | 0.8 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
ChEMBL | Inhibition of BMX (unknown origin) | B | 9.1 | pIC50 | 0.8 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4171-4175 [PMID:28734581] |
GtoPdb | - | - | 9.1 | pIC50 | 0.8 | nM | IC50 | N Engl J Med (2016) 374: 323-32 [PMID:26641137] |
GtoPdb | - | - | 9.1 | pIC50 | 0.8 | nM | IC50 | J Med Chem (2012) 55: 4539-50 [PMID:22394077] |
protein tyrosine kinase 6/Tyrosine-protein kinase BRK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4601] [GtoPdb: 2182] [UniProtKB: Q13882] | ||||||||
ChEMBL | HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 8.48 | pIC50 | 3.3 | nM | IC50 | US-9181263-B2. Inhibitors of bruton's tyrosine kinase (2015) |
ChEMBL | In Vitro HotSpot Kinase Assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. | B | 8.48 | pIC50 | 3.3 | nM | IC50 | US-9278100-B2. Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors (2016) |
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 | 8.72 | pKd | 1.9 | nM | Kd | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 2 to 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 8.32 | pKi | 4.8 | nM | Ki | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
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 | 6.64 | pIC50 | 230 | 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 | 6.77 | pIC50 | 171 | 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 | 7.18 | pIC50 | 66 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | Inhibition of human recombinant full length N-terminal His tagged BTK C481S mutant expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay | B | 7.77 | pIC50 | 17 | nM | IC50 | Eur J Med Chem (2019) 178: 767-781 [PMID:31234030] |
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 | 7.8 | pIC50 | 16 | nM | IC50 | J Med Chem (2020) 63: 5102-5118 [PMID:32083858] |
ChEMBL | Inhibition of recombinant full-length N-terminal His-tagged human BTK C481S mutant expressed in baculovirus infected Sf9 insect cells using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA | B | 7.84 | pIC50 | 14.4 | nM | IC50 | J Med Chem (2018) 61: 4608-4627 [PMID:29715023] |
ChEMBL | Inhibition of Btk in human Ramos cells assessed as inhibition of PLC-gamma2 phosphorylation at Tyr1217 after 1 hr by Western blot analysis | B | 7.85 | pIC50 | 14 | nM | IC50 | J. Med. Chem. (2014) 57: 5112-5128 [PMID:24915291] |
ChEMBL | Inhibition of BTK in whole blood (unknown origin) | B | 7.85 | pIC50 | 14 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 2939-2944 [PMID:30122225] |
ChEMBL | Inhibition of BTK in human WBC | B | 7.85 | pIC50 | 14 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3307-3311 [PMID:30243592] |
ChEMBL | Inhibition of BTK in human whole blood | B | 7.85 | pIC50 | 14 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3419-3424 [PMID:30290988] |
ChEMBL | Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
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 | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2018) 61: 2227-2245 [PMID:29457982] |
ChEMBL | Inhibition of Btk phosphorylation at Tyr551 in human Ramos cells after 1 hr by Western blot analysis | B | 8.12 | pIC50 | >7.5 | nM | IC50 | J. Med. Chem. (2014) 57: 5112-5128 [PMID:24915291] |
ChEMBL | Inhibition of full length human N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using biotinylated substrate after 50 mins by HTRF assay | B | 8.26 | pIC50 | 5.49 | nM | IC50 | Bioorg Med Chem (2018) 26: 2165-2172 [PMID:29567295] |
ChEMBL | Inhibition of recombinant full-length human N-terminal GST-fused BTK (2 to 659 residues) expressed in baculovirus expression system using biotin-labelled peptide as substrate measured after 50 mins by TR-FRET assay | B | 8.26 | pIC50 | 5.49 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 225-229 [PMID:30522954] |
ChEMBL | Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr by flow cytometric analysis | B | 8.34 | pIC50 | 4.6 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 2939-2944 [PMID:30122225] |