brigatinib [Ligand Id: 7741] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3545311 (Alunbrig, Ap-26113, AP26113, AP-26113, Brigatinib)
  • ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
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  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • Insulin-like growth factor I receptor in Human [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069]
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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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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]
GtoPdb Wild type ALK - 10.05 pKi 0.09 nM Ki Proc Natl Acad Sci USA (2011) 108: 7535-40 [PMID:21502504]
ChEMBL Inhibition of human ALK G1202R mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assay B 8.31 pIC50 4.9 nM IC50 J Med Chem (2020) 63: 10726-10741 [PMID:32432477]
ChEMBL Inhibition of human ALK L1196M mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assay B 8.77 pIC50 1.7 nM IC50 J Med Chem (2020) 63: 10726-10741 [PMID:32432477]
GtoPdb - - 9.43 pIC50 0.37 nM IC50 Proc Natl Acad Sci USA (2011) 108: 7535-40 [PMID:21502504];
J Med Chem (2016) 59: 4948-64 [PMID:27144831]
ChEMBL Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr B 9.43 pIC50 0.37 nM IC50 J. Med. Chem. (2016) 59: 4948-4964 [PMID:27144831]
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay B 6.89 pIC50 130 nM IC50 J Nat Prod (2019) 82: 3065-3073 [PMID:31718182]
GtoPdb - - 6.89 pIC50 129 nM IC50 Proc Natl Acad Sci USA (2011) 108: 7535-40 [PMID:21502504]
ChEMBL Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA B 7.29 pIC50 50.9 nM IC50 ACS Med Chem Lett (2018) 9: 1123-1127 [PMID:30429956]
ChEMBL Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA B 7.42 pIC50 38.3 nM IC50 ACS Med Chem Lett (2018) 9: 1123-1127 [PMID:30429956]
ChEMBL Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in baculovirus infected Sf9 insect cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISA B 8.52 pIC50 3 nM IC50 J Med Chem (2019) 62: 7302-7308 [PMID:31298540]
ChEMBL Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA B 8.6 pIC50 2.5 nM IC50 Bioorg Med Chem Lett (2020) 30: 127327-127327 [PMID:32631532]
ChEMBL Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISA B 8.82 pIC50 1.5 nM IC50 Bioorg Med Chem Lett (2020) 30: 127327-127327 [PMID:32631532]
ChEMBL Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA B 8.82 pIC50 1.5 nM IC50 Bioorg Med Chem Lett (2020) 30: 127327-127327 [PMID:32631532]
ChEMBL Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay B 9 pIC50 1 nM IC50 J Nat Prod (2019) 82: 3065-3073 [PMID:31718182]
ChEMBL Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay B 9 pIC50 1 nM IC50 J Nat Prod (2019) 82: 3065-3073 [PMID:31718182]
Insulin-like growth factor I receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069]
ChEMBL Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr B 7.6 pIC50 24.9 nM IC50 J. Med. Chem. (2016) 59: 4948-4964 [PMID:27144831]
GtoPdb - - 7.61 pIC50 24.6 nM IC50 J Med Chem (2016) 59: 4948-64 [PMID:27144831]
Insulin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1981] [GtoPdb: 1800] [UniProtKB: P06213]
ChEMBL Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr B 6.71 pIC50 196 nM IC50 J. Med. Chem. (2016) 59: 4948-4964 [PMID:27144831]
GtoPdb - - 6.71 pIC50 196 nM IC50 J Med Chem (2016) 59: 4948-64 [PMID:27144831]
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 of human ROS1 using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr B 8.72 pIC50 1.9 nM IC50 J. Med. Chem. (2016) 59: 4948-4964 [PMID:27144831]
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 of human FLT3 using EAIYAAPFAKKK as substrate and [gamma-33P]ATP measured after 1 hr B 8.68 pIC50 2.1 nM IC50 J. Med. Chem. (2016) 59: 4948-4964 [PMID:27144831]

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, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]