Found 72 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar
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| PDB Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
Reactome pathway KEGG
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Reversible inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus... |
J Med Chem 60: 2361-2372 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ... |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls Universit£t T£bingen
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
J Med Chem 60: 4636-4656 (2017)
BindingDB Entry DOI: 10.7270/Q26T0Q47 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay |
Eur J Med Chem 148: 221-237 (2018)
BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R/T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression syst... |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow... |
J Med Chem 60: 7725-7744 (2017)
BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
MER intracellular domain/EGFR extracellular domain chimera
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant expressed in baculovirus expression system preincubated for 30 mins followe... |
J Med Chem 60: 7725-7744 (2017)
BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay |
Eur J Med Chem 148: 221-237 (2018)
BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay |
Bioorg Med Chem 26: 2173-2185 (2018)
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression... |
J Med Chem 60: 2361-2372 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat... |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay |
Bioorg Med Chem 26: 2173-2185 (2018)
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expressi... |
Bioorg Med Chem 26: 1810-1822 (2018)
BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
MER intracellular domain/EGFR extracellular domain chimera
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow... |
J Med Chem 60: 7725-7744 (2017)
BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor(L858R, T790M)
(325/327 > 99%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.
US Patent
| Assay Description The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine... |
US Patent US9890168 (2018)
BindingDB Entry DOI: 10.7270/Q2PV6NPJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expressi... |
Bioorg Med Chem 26: 1810-1822 (2018)
BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor (EGFR)(T790M/L858R)
(325/327 > 99%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 25 |
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.
US Patent
| Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas... |
US Patent US10085983 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GBG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR L858R/T790M double mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence a... |
Eur J Med Chem 148: 221-237 (2018)
BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged wild-type EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using ... |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.
US Patent
| Assay Description The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine... |
US Patent US9890168 (2018)
BindingDB Entry DOI: 10.7270/Q2PV6NPJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | 25 |
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.
US Patent
| Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas... |
US Patent US10085983 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GBG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system usi... |
Bioorg Med Chem 26: 1810-1822 (2018)
BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA |
ACS Med Chem Lett 9: 1123-1127 (2018)
BindingDB Entry DOI: 10.7270/Q2FR00BQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
MER intracellular domain/EGFR extracellular domain chimera
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University-Peking University Joint Center for Life Sciences
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay |
Bioorg Med Chem 25: 4553-4559 (2017)
BindingDB Entry DOI: 10.7270/Q28K7CKS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA |
Bioorg Med Chem 24: 2673-80 (2016)
Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR T790M/L858R double mutant expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as sub... |
Eur J Med Chem 152: 298-306 (2018)
BindingDB Entry DOI: 10.7270/Q2PC34ZZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR deletion/T790M mutant autophosphorylation in human PC9-DRH cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon 19 deletion mutant (unknown origin) |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo... |
Eur J Med Chem 135: 12-23 (2017)
BindingDB Entry DOI: 10.7270/Q28P630H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs by ELISA |
Bioorg Med Chem Lett 26: 1861-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.067 BindingDB Entry DOI: 10.7270/Q2C24Z9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR Del ex19 mutant phosphorylation in human PC9 cells preincubated for 2 hrs by ELISA |
Bioorg Med Chem Lett 26: 1861-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.067 BindingDB Entry DOI: 10.7270/Q2C24Z9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using FAM-labell... |
Bioorg Med Chem 26: 1810-1822 (2018)
BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR deletion mutant autophosphorylation in human HCC827 cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant autophosphorylation in human H3255 cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant phosphorylation in human NCI-H1975 cells after 1 hr by ELISA |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR deletion mutant autophosphorylation in human PC9 cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method |
J Med Chem 59: 6671-89 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor(L858R, T790M)
(325/327 > 99%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals Inc
US Patent
| Assay Description A compound's ability in selectively inhibiting EGFR L858R and T790M concurrent mutations can be assessed using Ba/F3 cells, a murine pro-B cell l... |
US Patent US10227342 (2019)
BindingDB Entry DOI: 10.7270/Q21Z46Q0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor (T790M)
(326/327 > 99%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| PDB US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals Inc
US Patent
| Assay Description A compound's ability in selectively inhibiting EGFR exon 19 deletion and T790M concurrent mutations can be assessed using Ba/F3 cells, a murine p... |
US Patent US10227342 (2019)
BindingDB Entry DOI: 10.7270/Q21Z46Q0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals Inc
US Patent
| Assay Description A compound's ability in selectively inhibiting EGFR exon 20 insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, whic... |
US Patent US10227342 (2019)
BindingDB Entry DOI: 10.7270/Q21Z46Q0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR L858R/T790M/C797S mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence as... |
Eur J Med Chem 148: 221-237 (2018)
BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay |
Bioorg Med Chem 26: 3619-3633 (2018)
BindingDB Entry DOI: 10.7270/Q2Z3224Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ... |
Bioorg Med Chem 26: 2173-2185 (2018)
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR phosphorylation in human A431 cells preincubated for 1 hr followed by EGF stimulation measured after 45 mins by ELISA |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University-Peking University Joint Center for Life Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay |
Bioorg Med Chem 25: 4553-4559 (2017)
BindingDB Entry DOI: 10.7270/Q28K7CKS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description 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)... |
ACS Med Chem Lett 9: 1123-1127 (2018)
BindingDB Entry DOI: 10.7270/Q2FR00BQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His/TEV protease cleavage site-tagged wild type human EGFR using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA |
Eur J Med Chem 126: 1107-1117 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.006 BindingDB Entry DOI: 10.7270/Q2F47RD5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged wild type EGFR expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 1 h... |
Eur J Med Chem 152: 298-306 (2018)
BindingDB Entry DOI: 10.7270/Q2PC34ZZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals Inc
US Patent
| Assay Description A compound's ability in selectively inhibiting EGFR exon 20 insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, whic... |
US Patent US10227342 (2019)
BindingDB Entry DOI: 10.7270/Q21Z46Q0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA |
Bioorg Med Chem 24: 2673-80 (2016)
Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of EGF-stimulated wild type EGFR phosphorylation in human LoVo cells incubated for 2 hrs followed by EGF stimulation for 10 mins by ELISA |
J Med Chem 60: 839-885 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00788 BindingDB Entry DOI: 10.7270/Q2JW8H9T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR phosphorylation in human LoVo cells preincubated for 2 hrs followed by EGF stimulation measured after 30 mins by ELISA |
Bioorg Med Chem Lett 26: 1861-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.067 BindingDB Entry DOI: 10.7270/Q2C24Z9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB PubMed
| n/a | n/a | 494 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals Inc
US Patent
| Assay Description A compound's ability in selectively inhibiting Her2 exon 20 YVMA insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line,... |
US Patent US10227342 (2019)
BindingDB Entry DOI: 10.7270/Q21Z46Q0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| PDB Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar
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DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 667 | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell viability after 96 hrs by CellTiterGlo assay |
J Med Chem 60: 2361-2372 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(327/327 = 100%)† (Homo sapiens (Human)) | BDBM50029668
 (AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
High Magnetic Field Laboratory
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) autophosphorylation at Y1068 expressed in mouse BAF3 cells after 4 hrs by Western blot analysis |
J Med Chem 60: 2944-2962 (2017)
BindingDB Entry DOI: 10.7270/Q2WQ0680 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |