gilteritinib [Ligand Id: 8708] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3301622 (Asp-2215, ASP2215, ASP-2215, Gilteritinib)
  • ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
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  • c-ros oncogene 1, receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase ROS in Human [ChEMBL: CHEMBL5568] [GtoPdb: 1840] [UniProtKB: P08922]
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  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
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  • ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
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  • AXL receptor tyrosine kinase/Tyrosine-protein kinase receptor UFO in Human [ChEMBL: CHEMBL4895] [GtoPdb: 1835] [UniProtKB: P30530]
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  • neurotrophic receptor tyrosine kinase 1 in Human [GtoPdb: 1817] [UniProtKB: P04629]
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  • MER proto-oncogene, tyrosine kinase in Human [GtoPdb: 1837] [UniProtKB: Q12866]
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  • leukocyte receptor tyrosine kinase in Human [GtoPdb: 1838] [UniProtKB: P29376]
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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 Assay: A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated, and injected into mouse lymphoid cell line BA/F3 cells. Using a magnetic bead reagent for cell separation and a purification column (anti-CD8 monoclonal antibody immobilized on magnetic beads and a MiniMACS purification column; both are products of MilteDyi Biotec Inc.), cell surface CD8-expressing cells were purified to establish EML4-ALK fusion protein v1-expressing BA/F3 cells. From the cells, EML4-ALK fusion protein v1 was purified and subjected to kinase activity evaluation. EML4-ALK fusion protein v1 was investigated for its phosphorylation activity toward a peptide substrate by using a kinase activity detection kit (HTRF KinEASE-TK; Cisbio Inc.). Test compounds were each added to a reaction solution containing the enzyme protein to give 8 final concentrations from 1000 nM to 0.3 nM, followed by addition of ATP. B 8.82 pIC50 1.5 nM IC50 US-8969336-B2. Diamino heterocyclic carboxamide compound (2015)
GtoPdb - - 9.3 pIC50 ~0.5 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
c-ros oncogene 1, receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase ROS in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5568] [GtoPdb: 1840] [UniProtKB: P08922]
ChEMBL Inhibition Assay: A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5, except that the ATP concentration in the mixed solution of ATP and substrate peptide (Caliper) was 50 uM. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition. B 8.72 pIC50 1.9 nM IC50 US-8969336-B2. Diamino heterocyclic carboxamide compound (2015)
GtoPdb - - 8.82 pIC50 ~1.5 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
ChEMBL Inhibition Assay: A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition. B 9.39 pIC50 0.41 nM IC50 US-8969336-B2. Diamino heterocyclic carboxamide compound (2015)
GtoPdb - - 9.52 pIC50 ~0.3 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
ChEMBL Inhibition of N-terminal GST-tagged human FLT3 (564 to 993 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA B 9.54 pIC50 0.29 nM IC50 Eur J Med Chem (2019) 178: 468-483 [PMID:31207462]
ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
ChEMBL Inhibition Assay: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition. In the absence of the test compound, the phosphorylation peptide peak without ATP addition and with ATP addition was assumed to be 100% inhibition and 0% inhibition, respectively. B 8.47 pIC50 3.4 nM IC50 US-8969336-B2. Diamino heterocyclic carboxamide compound (2015)
GtoPdb - - 8.77 pIC50 ~1.7 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
AXL receptor tyrosine kinase/Tyrosine-protein kinase receptor UFO in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4895] [GtoPdb: 1835] [UniProtKB: P30530]
ChEMBL Inhibition of AXL (unknown origin) using poly (Glu, Tyr) as substrate after 60 mins by ELISA B 7.95 pIC50 11.3 nM IC50 Bioorg Med Chem Lett (2019) 29: 836-838 [PMID:30685094]
ChEMBL Inhibition of AXL (unknown origin) B 9 pIC50 <1 nM IC50 J. Med. Chem. (2016) 59: 3593-3608 [PMID:26555154]
GtoPdb - - 9.1 pIC50 ~0.8 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
ChEMBL Inhibition of N-terminal GST-tagged human AXL (464 to 885 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA B 9.14 pIC50 0.73 nM IC50 Eur J Med Chem (2019) 178: 468-483 [PMID:31207462]
neurotrophic receptor tyrosine kinase 1 in Human [GtoPdb: 1817] [UniProtKB: P04629]
GtoPdb - - 8.96 pIC50 ~1.1 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
MER proto-oncogene, tyrosine kinase in Human [GtoPdb: 1837] [UniProtKB: Q12866]
GtoPdb - - 8.52 pIC50 ~3 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]
leukocyte receptor tyrosine kinase in Human [GtoPdb: 1838] [UniProtKB: P29376]
GtoPdb - - 9.7 pIC50 ~0.2 nM IC50 Blood (2017) 129: 257-260 [PMID:27908881]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]