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ChEMBL ligand: CHEMBL3545311 (Alunbrig, Ap-26113, AP26113, AP-26113, Brigatinib) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 | Binding affinity to ALK G1202R mutant (unknown origin) | B | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2021) 64: 9152-9165 [PMID:34138566] |
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] |
ChEMBL | Binding affinity to ALK (unknown origin) | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2021) 64: 9152-9165 [PMID:34138566] |
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 wild type EGFR (unknown origin) measured by ELISA | B | 6.58 | pIC50 | 261.3 | nM | IC50 | ACS Med Chem Lett (2022) 13: 196-202 [PMID:35178175] |
ChEMBL | Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by ELISA | B | 6.69 | pIC50 | 203 | nM | IC50 | J Med Chem (2021) 64: 13704-13718 [PMID:34491761] |
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 EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA | B | 7.42 | pIC50 | 38.3 | nM | IC50 | ACS Med Chem Lett (2022) 13: 196-202 [PMID:35178175] |
ChEMBL | Inhibition of Wild type EGFR (unknown origin) | B | 7.68 | pIC50 | 21 | nM | IC50 | J Med Chem (2021) 64: 13704-13718 [PMID:34491761] |
ChEMBL | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay | B | 7.73 | pIC50 | 18.5 | nM | IC50 | Eur J Med Chem (2021) 225: 113786-113786 [PMID:34464874] |
ChEMBL | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by substrate and ATP addition by TR-FRET assay | B | 7.9 | pIC50 | 12.5 | nM | IC50 | Eur J Med Chem (2021) 225: 113786-113786 [PMID:34464874] |
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 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 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 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] |
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] |
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 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]