ilorasertib [Ligand Id: 9914] 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: CHEMBL1980297 (A-968660, A-968660.0, ABBOTT-968660, Abt-348, ABT-348, Abt-348, a-968660, Ilorasertib)
  • ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
There should be some charts here, you may need to enable JavaScript!
  • cyclin dependent kinase 9/Cyclin-dependent kinase 9 in Human [ChEMBL: CHEMBL3116] [GtoPdb: 1981] [UniProtKB: P50750]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • fibroblast growth factor receptor 1/Fibroblast growth factor receptor 1 in Human [ChEMBL: CHEMBL3650] [GtoPdb: 1808] [UniProtKB: P11362]
There should be some charts here, you may need to enable JavaScript!
  • glycogen synthase kinase 3 alpha/Glycogen synthase kinase-3 alpha in Human [ChEMBL: CHEMBL2850] [GtoPdb: 2029] [UniProtKB: P49840]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Insulin-like growth factor I receptor in Human [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069]
There should be some charts here, you may need to enable JavaScript!
  • colony stimulating factor 1 receptor/Macrophage colony stimulating factor receptor in Human [ChEMBL: CHEMBL1844] [GtoPdb: 1806] [UniProtKB: P07333]
There should be some charts here, you may need to enable JavaScript!
  • platelet derived growth factor receptor alpha/Platelet-derived growth factor receptor alpha in Human [ChEMBL: CHEMBL2007] [GtoPdb: 1803] [UniProtKB: P16234]
There should be some charts here, you may need to enable JavaScript!
  • platelet derived growth factor receptor beta/Platelet-derived growth factor receptor beta in Human [ChEMBL: CHEMBL1913] [GtoPdb: 1804] [UniProtKB: P09619]
There should be some charts here, you may need to enable JavaScript!
  • Rho associated coiled-coil containing protein kinase 1/Rho-associated protein kinase 1 in Human [ChEMBL: CHEMBL3231] [GtoPdb: 1503] [UniProtKB: Q13464]
There should be some charts here, you may need to enable JavaScript!
  • aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
There should be some charts here, you may need to enable JavaScript!
  • aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4]
There should be some charts here, you may need to enable JavaScript!
  • aurora kinase C/Serine/threonine-protein kinase Aurora-C in Human [ChEMBL: CHEMBL3935] [GtoPdb: 1938] [UniProtKB: Q9UQB9]
There should be some charts here, you may need to enable JavaScript!
  • KIT proto-oncogene, receptor tyrosine kinase/Stem cell growth factor receptor in Human [ChEMBL: CHEMBL1936] [GtoPdb: 1805] [UniProtKB: P10721]
There should be some charts here, you may need to enable JavaScript!
  • ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519]
There should be some charts here, you may need to enable JavaScript!
  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
There should be some charts here, you may need to enable JavaScript!
  • Janus kinase 2/Tyrosine-protein kinase JAK2 in Human [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
There should be some charts here, you may need to enable JavaScript!
  • Janus kinase 3/Tyrosine-protein kinase JAK3 in Human [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333]
There should be some charts here, you may need to enable JavaScript!
  • LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
There should be some charts here, you may need to enable JavaScript!
  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
There should be some charts here, you may need to enable JavaScript!
  • ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
There should be some charts here, you may need to enable JavaScript!
  • fms related receptor tyrosine kinase 1/Vascular endothelial growth factor receptor 1 in Human [ChEMBL: CHEMBL1868] [GtoPdb: 1812] [UniProtKB: P17948]
There should be some charts here, you may need to enable JavaScript!
  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
There should be some charts here, you may need to enable JavaScript!
  • fms related receptor tyrosine kinase 4 in Human [GtoPdb: 1814] [UniProtKB: P35916]
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
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 32:

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]