ilorasertib [Ligand Id: 9914] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1980297 (A-968660, A-968660.0, ABBOTT-968660, Abt-348, ABT-348, Abt-348, a-968660, Ilorasertib) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73] | ||||||||
| ChEMBL | Inhibition of ALK by TR-FRET assay | B | 6.44 | pIC50 | 363 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| cyclin dependent kinase 9/Cyclin-dependent kinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3116] [GtoPdb: 1981] [UniProtKB: P50750] | ||||||||
| ChEMBL | Inhibition of CDK9 by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | Inhibtion Assay: Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microtiter plate shaker in a 37° C. incubator. Pooled human liver microsomes (BD Gentest, 50 μg/mL) were incubated with 5 concentrations of test compound (from 0.1 μM to 10 μM), 1 mM NADPH (Sigma), and 2 μM midazolam (Sigma). A constant amount of dimethylsulfoxide (1%) was added to the incubations with the test compounds, and each analysis was performed in duplicate. For preincubation experiments (Pre), the microsomes, test compounds, and NADPH were mixed and incubated 30 minutes before addition of midazolam. For coincubation experiments (Co), the compounds, microsomes, and midazolam were mixed and the reaction initiated by addition of NADPH to the wells. | B | 5 | pIC50 | >10000 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Inhibtion Assay: Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microtiter plate shaker in a 37° C. incubator. Pooled human liver microsomes (BD Gentest, 50 μg/mL) were incubated with 5 concentrations of test compound (from 0.1 μM to 10 μM), 1 mM NADPH (Sigma), and 2 μM midazolam (Sigma). A constant amount of dimethylsulfoxide (1%) was added to the incubations with the test compounds, and each analysis was performed in duplicate. For preincubation experiments (Pre), the microsomes, test compounds, and NADPH were mixed and incubated 30 minutes before addition of midazolam. For coincubation experiments (Co), the compounds, microsomes, and midazolam were mixed and the reaction initiated by addition of NADPH to the wells. | B | 5 | pIC50 | >10000 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Inhibtion Assay: Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microtiter plate shaker in a 37° C. incubator. Pooled human liver microsomes (BD Gentest, 50 μg/mL) were incubated with 5 concentrations of test compound (from 0.1 μM to 10 μM), 1 mM NADPH (Sigma), and 2 μM midazolam (Sigma). A constant amount of dimethylsulfoxide (1%) was added to the incubations with the test compounds, and each analysis was performed in duplicate. For preincubation experiments (Pre), the microsomes, test compounds, and NADPH were mixed and incubated 30 minutes before addition of midazolam. For coincubation experiments (Co), the compounds, microsomes, and midazolam were mixed and the reaction initiated by addition of NADPH to the wells. | B | 5 | pIC50 | >10000 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Inhibtion Assay: Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microtiter plate shaker in a 37° C. incubator. Pooled human liver microsomes (BD Gentest, 50 μg/mL) were incubated with 5 concentrations of test compound (from 0.1 μM to 10 μM), 1 mM NADPH (Sigma), and 2 μM midazolam (Sigma). A constant amount of dimethylsulfoxide (1%) was added to the incubations with the test compounds, and each analysis was performed in duplicate. For preincubation experiments (Pre), the microsomes, test compounds, and NADPH were mixed and incubated 30 minutes before addition of midazolam. For coincubation experiments (Co), the compounds, microsomes, and midazolam were mixed and the reaction initiated by addition of NADPH to the wells. | B | 5 | pIC50 | >10000 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| fibroblast growth factor receptor 1/Fibroblast growth factor receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3650] [GtoPdb: 1808] [UniProtKB: P11362] | ||||||||
| ChEMBL | Inhibition of FGFR1 by TR-FRET assay | B | 6.73 | pIC50 | 188 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| glycogen synthase kinase 3 alpha/Glycogen synthase kinase-3 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2850] [GtoPdb: 2029] [UniProtKB: P49840] | ||||||||
| ChEMBL | Inhibition of GSK3alpha by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human Erg by patch clamp assay in absence of plasma protein | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| Insulin-like growth factor I receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069] | ||||||||
| ChEMBL | Inhibition of IGF1R by TR-FRET assay | B | 6.27 | pIC50 | 539 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| 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 CSF1R | B | 8.5 | pKi | 3.16 | nM | Ki | ACS Med Chem Lett (2012) 3: 383-386 [PMID:24900482] |
| ChEMBL | Inhibition of CSF1R by TR-FRET assay | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.47 | pIC50 | 3.42 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 8.52 | pIC50 | 3 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.65 | pIC50 | 2.22 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| platelet derived growth factor receptor alpha/Platelet-derived growth factor receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2007] [GtoPdb: 1803] [UniProtKB: P16234] | ||||||||
| ChEMBL | Inhibition of PDGFRA | B | 9.1 | pKi | 0.79 | nM | Ki | ACS Med Chem Lett (2012) 3: 383-386 [PMID:24900482] |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 7.96 | pIC50 | 11 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| platelet derived growth factor receptor beta/Platelet-derived growth factor receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1913] [GtoPdb: 1804] [UniProtKB: P09619] | ||||||||
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 7.89 | pIC50 | 13 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Inhibition of PDGFRbeta by TR-FRET assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| Rho associated coiled-coil containing protein kinase 1/Rho-associated protein kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3231] [GtoPdb: 1503] [UniProtKB: Q13464] | ||||||||
| ChEMBL | Inhibition of ROCK1 by TR-FRET assay | B | 6.34 | pIC50 | 456 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Enzyme Inhibtion Assay: To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well plate with biotinylated STK substrate-2 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a Hepes buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-STK antibody Europium Cryptate (Upstate) and SA-XL665 (Upstate) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm. | B | 5.32 | pIC50 | 4743.1 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Enzyme Inhibtion Assay: To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well plate with biotinylated STK substrate-2 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a Hepes buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-STK antibody Europium Cryptate (Upstate) and SA-XL665 (Upstate) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm. | B | 6.17 | pIC50 | 675.42 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 6.92 | pIC50 | 120 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Inhibition of AuroraA (unknown origin) | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127556-127556 [PMID:32941989] |
| ChEMBL | Inhibition of Aurora A by TR-FRET assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4] | ||||||||
| ChEMBL | Inhibition of AuroraB (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127556-127556 [PMID:32941989] |
| ChEMBL | Enzyme Inhibtion Assay: To determine Aurora B activity of representative compounds of the invention, Active Aurora B enzyme (recombinant residues 1-344) and INCENP (recombinant GST fusion protein (Upstate)) were incubated in wells of a 384 well plate with biotinylted histone H3 peptide residues 1-21 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a HEPES buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-histone H3 Europium Cryptate (Cis-Bio) and SA-APC (Phycolink, Prozyme) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm. | B | 8.1 | pIC50 | 7.87 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 8.15 | pIC50 | 7 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Inhibition of Aurora B using 1 mM ATP by HTRF assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| ChEMBL | Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4750-4755 [PMID:22695126] |
| ChEMBL | Enzyme Inhibtion Assay: To determine Aurora B activity of representative compounds of the invention, Active Aurora B enzyme (recombinant residues 1-344) and INCENP (recombinant GST fusion protein (Upstate)) were incubated in wells of a 384 well plate with biotinylted histone H3 peptide residues 1-21 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a HEPES buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-histone H3 Europium Cryptate (Cis-Bio) and SA-APC (Phycolink, Prozyme) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm. | B | 8.17 | pIC50 | 6.73 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Inhibition of Aurora B by TR-FRET assay | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| aurora kinase C/Serine/threonine-protein kinase Aurora-C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3935] [GtoPdb: 1938] [UniProtKB: Q9UQB9] | ||||||||
| ChEMBL | Inhibition of AuroraC (unknown origin) | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127556-127556 [PMID:32941989] |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 9 | pIC50 | 1 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| KIT proto-oncogene, receptor tyrosine kinase/Stem cell growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1936] [GtoPdb: 1805] [UniProtKB: P10721] | ||||||||
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 7.56 | pIC50 | 27.27 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 7.7 | pIC50 | 20 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 7.71 | pIC50 | 19.53 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| 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 | Inhibition of ABL by TR-FRET assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241] | ||||||||
| ChEMBL | Inhibition of FYN by TR-FRET assay | B | 6.96 | pIC50 | 110 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| Janus kinase 2/Tyrosine-protein kinase JAK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674] | ||||||||
| ChEMBL | Inhibition of JAK2 by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333] | ||||||||
| ChEMBL | Inhibition of JAK3 by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239] | ||||||||
| ChEMBL | Inhibition of LCK by TR-FRET assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.89 | pIC50 | 1.3 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.95 | pIC50 | 1.13 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 9 | pIC50 | 1 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949] | ||||||||
| ChEMBL | Inhibition of RET by TR-FRET assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| fms related receptor tyrosine kinase 1/Vascular endothelial growth factor receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1868] [GtoPdb: 1812] [UniProtKB: P17948] | ||||||||
| ChEMBL | Inhibition of Flt1 by TR-FRET assay | B | 7.49 | pIC50 | 32 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.68 | pIC50 | 2.1 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.9 | pIC50 | 1.25 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 9 | pIC50 | 1 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968] | ||||||||
| ChEMBL | Inhibition of KDR by TR-FRET assay | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| ChEMBL | Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4750-4755 [PMID:22695126] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.58 | pIC50 | 2.65 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| ChEMBL | Inhibition of KDR using 1 mM ATP by HTRF assay | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3208-3212 [PMID:22465635] |
| ChEMBL | Inhibition of KDR by HTRF analysis in presence of 1 mM ATP | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4750-4755 [PMID:22695126] |
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 8.7 | pIC50 | 2 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
| ChEMBL | Homogenous Time-Resolved Fluorescence Assay (HTRF): To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 μM N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 μL final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution. | B | 8.8 | pIC50 | 1.59 | nM | IC50 | US-8722890-B2. Thieno[3,2-C]pyridine kinase inhibitors with improved CYP safety profile (2014) |
| fms related receptor tyrosine kinase 4 in Human [GtoPdb: 1814] [UniProtKB: P35916] | ||||||||
| GtoPdb | Measuring inhibition of kinase activity in a biochemical assay. | - | 7.37 | pIC50 | 43 | nM | IC50 | J Pharmacol Exp Ther (2012) 343: 617-27 [PMID:22935731] |
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]
