Found 119 hits for monomerid = 50029668 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article PubMed
| 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)
Article DOI: 10.1016/j.ejmech.2017.04.036 BindingDB Entry DOI: 10.7270/Q28P630H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article PubMed
| 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)
Article DOI: 10.1016/j.ejmech.2018.04.052 BindingDB Entry DOI: 10.7270/Q2PC34ZZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.ejmech.2018.04.052 BindingDB Entry DOI: 10.7270/Q2PC34ZZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
KEGG
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DrugBank PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.10 | 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 plus luminescence assay |
Bioorg Med Chem 26: 2173-2185 (2018)
Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article 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)
Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article 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 |
Eur J Med Chem 148: 221-237 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article 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)
Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 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)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article 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)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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
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DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 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)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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)
Article DOI: 10.1016/j.bmc.2018.02.029 BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1016/j.bmc.2018.02.029 BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 |
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)
Article DOI: 10.1016/j.bmc.2018.02.029 BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1016/j.bmc.2018.02.029 BindingDB Entry DOI: 10.7270/Q2FF3W1G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 |
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)
Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1021/acsmedchemlett.8b00373 BindingDB Entry DOI: 10.7270/Q2FR00BQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1021/acsmedchemlett.8b00373 BindingDB Entry DOI: 10.7270/Q2FR00BQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 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)
Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | 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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| PubMed
| n/a | n/a | 3.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
| Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ... |
Antimicrob Agents Chemother 64: (2020)
BindingDB Entry DOI: 10.7270/Q22N54QR |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi Science & Technology Normal University
Curated by ChEMBL
| Assay Description Inhibition of wildtype EGFR (unknown origin) using biotin as substrate in presence of ATP by mobility shift assay based ELISA |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111809 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi Science & Technology Normal University
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using biotin as substrate in presence of ATP by mobility shift assay based ELISA |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111809 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi Shuangliang Biotechnology Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assay |
Bioorg Med Chem 26: 6135-6145 (2018)
Article DOI: 10.1016/j.bmc.2018.10.018 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi Shuangliang Biotechnology Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assay |
Bioorg Med Chem 26: 6135-6145 (2018)
Article DOI: 10.1016/j.bmc.2018.10.018 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi Shuangliang Biotechnology Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate b... |
Bioorg Med Chem 26: 6135-6145 (2018)
Article DOI: 10.1016/j.bmc.2018.10.018 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged EGFR T790M/L858R double mutant (695 to end residues) expressed in baculovirus infected Sf9 insect cells usi... |
Bioorg Med Chem 26: 6087-6095 (2018)
Article DOI: 10.1016/j.bmc.2018.11.009 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 568 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of wild-type human N-terminal GST-tagged EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu... |
Bioorg Med Chem 26: 6087-6095 (2018)
Article DOI: 10.1016/j.bmc.2018.11.009 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sabila Biosciences LLC
Curated by ChEMBL
| Assay Description Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay |
Bioorg Med Chem Lett 29: 1435-1439 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.029 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon19 deletion mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MT... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M exon19 deletion double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
EML4-ALK
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EML4/ALK (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(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 | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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 | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human DFCI032 cells assessed as reduction in cell viability after 72 hrs in presence of ceritinib by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 4.73E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human DFCI032 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay in presence of ceritinib |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Epidermal growth factor receptor
(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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B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 7.93E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
ALK tyrosine kinase receptor
(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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| Article PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as subs... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged human EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |