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PDB code 4ZAU

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 26 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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2.20n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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3.20n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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3.5n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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14n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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14n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 1.60n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 1.60n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor (EGFR)(T790M/L858R)

  (325/327 > 99%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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US Patent
n/an/a 2n/an/an/an/an/a25



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group 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)


Article DOI: 10.1021/jm030233b
BindingDB Entry DOI: 10.7270/Q28W3GBG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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US Patent
n/an/a 3n/an/an/an/an/a25



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group 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)


Article DOI: 10.1021/jm030233b
BindingDB Entry DOI: 10.7270/Q28W3GBG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 11n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 13n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 15n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 15n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 17n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 23n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 36n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 56n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 74n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 150n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 260n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 409n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 480n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 1.50E+4n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 1.70E+4n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/a 4.80E+5n/an/an/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (Human))
BDBM50029668
PNG
(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)
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n/an/an/an/a 667n/an/an/an/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
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output