brigatinib [Ligand Id: 7741] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3545311 (Alunbrig, Ap-26113, AP-26113, AP26113, Brigatinib) |
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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 ALK G1202R mutant (unknown origin) | B | 8.31 | pIC50 | 4.9 | nM | IC50 | J Med Chem (2022) 65: 15540-15558 [PMID:36395392] |
| 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 ALK L1196M mutant (unknown origin) | B | 8.77 | pIC50 | 1.7 | nM | IC50 | J Med Chem (2022) 65: 15540-15558 [PMID:36395392] |
| 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 wild type EGFR (unknown origin) by ELISA | B | 6.85 | pIC50 | 139.7 | nM | IC50 | J Med Chem (2022) 65: 6840-6858 [PMID:35446588] |
| 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 wild type EGFR (unknown origin) | B | 7.13 | pIC50 | 74.8 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| ChEMBL | Inhibition of wild type EGFR (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay | B | 7.28 | pIC50 | 53 | nM | IC50 | Bioorg Med Chem (2022) 70: 116907-116907 [PMID:35810715] |
| 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 EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA | B | 7.42 | pIC50 | 37.6 | nM | IC50 | J Med Chem (2022) 65: 6840-6858 [PMID:35446588] |
| ChEMBL | Inhibition of EGFR L858R mutant (unknown origin) | B | 7.55 | pIC50 | 28.3 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| 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 mutant (unknown origin) by ELISA | B | 7.76 | pIC50 | 17.2 | nM | IC50 | J Med Chem (2022) 65: 6840-6858 [PMID:35446588] |
| 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 EGFR L858R/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 20 mins by HTRF assay | B | 7.96 | pIC50 | 11 | nM | IC50 | ACS Med Chem Lett (2023) 14: 591-598 [PMID:37197473] |
| ChEMBL | Inhibition of EGFR del19 mutant (unknown origin) | B | 7.98 | pIC50 | 10.5 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| ChEMBL | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system measured after 2 hrs by ELISA method | B | 8.1 | pIC50 | 8 | nM | IC50 | Eur J Med Chem (2022) 244: 114856-114856 [PMID:36279692] |
| ChEMBL | Inhibition of EGFR 19 del/T790M/C797S mutant (unknown origin) by ELISA | B | 8.18 | pIC50 | 6.6 | nM | IC50 | J Med Chem (2022) 65: 6840-6858 [PMID:35446588] |
| ChEMBL | Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) | B | 8.31 | pIC50 | 4.9 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| ChEMBL | Inhibition of EGFR del19/T790M/C797S mutant (unknown origin) | B | 8.41 | pIC50 | 3.9 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| ChEMBL | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay | B | 8.47 | pIC50 | 3.38 | nM | IC50 | Bioorg Med Chem (2022) 70: 116907-116907 [PMID:35810715] |
| 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 wild type EGFR (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 25 mins by HTRF assay | B | 8.8 | pIC50 | 1.6 | nM | IC50 | ACS Med Chem Lett (2023) 14: 591-598 [PMID:37197473] |
| 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 EGFR L858R/T790M/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 10 mins by HTRF assay | B | 8.89 | pIC50 | 1.3 | nM | IC50 | ACS Med Chem Lett (2023) 14: 591-598 [PMID:37197473] |
| 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] |
| ChEMBL | Inhibition of EGFR del18/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay | B | 9.09 | pIC50 | 0.82 | nM | IC50 | Bioorg Med Chem (2022) 70: 116907-116907 [PMID:35810715] |
| ChEMBL | Inhibition of EGFR del19/T790M mutant (unknown origin) | B | 9.15 | pIC50 | 0.7 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128729-128729 [PMID:35413415] |
| 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] |
| NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285] | ||||||||
| ChEMBL | Inhibition of NUAK1 (unknown origin) | B | 7.33 | pIC50 | 47 | nM | IC50 | J Med Chem (2021) 64: 2-25 [PMID:33356242] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
