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Compile Data Set for Download or QSAR

Found 17243 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520584
PNG
(CHEMBL4448107)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177856
PNG
(CHEMBL3814219)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520588
PNG
(CHEMBL4449391)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520589
PNG
(CHEMBL4473365)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520584
PNG
(CHEMBL4448107)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520595
PNG
(CHEMBL4565984)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520589
PNG
(CHEMBL4473365)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520584
PNG
(CHEMBL4448107)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520584
PNG
(CHEMBL4448107)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520588
PNG
(CHEMBL4449391)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(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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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
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520589
PNG
(CHEMBL4473365)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520595
PNG
(CHEMBL4565984)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520589
PNG
(CHEMBL4473365)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520588
PNG
(CHEMBL4449391)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520588
PNG
(CHEMBL4449391)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520595
PNG
(CHEMBL4565984)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177856
PNG
(CHEMBL3814219)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50519629
PNG
(CHEMBL4441606)
Show SMILES COc1cc([S+]([O-])CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C27H30N6O3S/c1-6-26(34)29-22-15-21(24(36-5)16-25(22)37(35)14-13-32(2)3)31-27-28-12-11-20(30-27)19-17-33(4)23-10-8-7-9-18(19)23/h6-12,15-17H,1,13-14H2,2-5H3,(H,29,34)(H,28,30,31)
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n/an/an/an/a 7.10n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant in human NCI-H1975 cells assessed as reduction in EGFR Y1068 phosphorylation incubated for 4 hrs by Western blo...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111709
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520595
PNG
(CHEMBL4565984)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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n/an/an/an/a 8n/an/an/an/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178143
PNG
(CHEMBL3813817)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C25H22N8O2/c1-2-22(35)29-17-6-5-7-18(12-17)33-21-9-4-3-8-19(21)31-25(33)23-24(26)27-14-20(30-23)16-13-28-32(15-16)10-11-34/h2-9,12-15,34H,1,10-11H2,(H2,26,27)(H,29,35)
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n/an/an/an/a 8n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177907
PNG
(CHEMBL3814884)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C31H33N9O/c1-4-28(41)35-22-8-7-9-24(16-22)40-27-11-6-5-10-25(27)37-31(40)29-30(32)33-18-26(36-29)21-17-34-39(19-21)23-12-14-38(15-13-23)20(2)3/h4-11,16-20,23H,1,12-15H2,2-3H3,(H2,32,33)(H,35,41)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177908
PNG
(CHEMBL3814376)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-21-8-7-9-23(16-21)39-26-11-6-5-10-24(26)36-30(39)28-29(31)32-18-25(35-28)20-17-33-38(19-20)22-12-14-37(4-2)15-13-22/h3,5-11,16-19,22H,1,4,12-15H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177903
PNG
(CHEMBL3814825)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h3-10,15-18,21H,1,11-14H2,2H3,(H2,30,31)(H,33,39)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178150
PNG
(CHEMBL3813947)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H20N8O/c1-3-21(33)28-16-7-6-8-17(11-16)32-20-10-5-4-9-18(20)30-24(32)22-23(25)26-13-19(29-22)15-12-27-31(2)14-15/h3-14H,1H2,2H3,(H2,25,26)(H,28,33)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177849
PNG
(CHEMBL3814714)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2cnccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-7-10-30-15-23(24)35-28(38)26-27(29)31-16-22(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (EGFR) (delE756-A750)


(Homo sapiens (Human))
BDBM202384
PNG
(US10081606, Compound I-16 | US9238629, I-16 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H20F3N5O3/c1-4-18(31)27-13-7-5-8-14(11-13)28-20-15(22(23,24)25)12-26-21(30-20)29-16-9-6-10-17(32-2)19(16)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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n/an/an/an/a<10n/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (EGFR) (delE756-A750)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
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n/an/an/an/a<10n/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178150
PNG
(CHEMBL3813947)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H20N8O/c1-3-21(33)28-16-7-6-8-17(11-16)32-20-10-5-4-9-18(20)30-24(32)22-23(25)26-13-19(29-22)15-12-27-31(2)14-15/h3-14H,1H2,2H3,(H2,25,26)(H,28,33)
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270592
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C31H31F2N9O/c1-30(2,3)16-35-27-23-13-19(12-18(14-34)25(23)36-17-37-27)38-26(24-15-42(40-39-24)31(9-10-31)29(32)33)21-6-5-7-22-20(21)8-11-41(4)28(22)43/h5-8,11-13,15,17,26,29,38H,9-10,16H2,1-4H3,(H,35,36,37)/t26-/m0/s1
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n/an/an/an/a 11.3n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10577352 (2020)


BindingDB Entry DOI: 10.7270/Q20P12D3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270592
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C31H31F2N9O/c1-30(2,3)16-35-27-23-13-19(12-18(14-34)25(23)36-17-37-27)38-26(24-15-42(40-39-24)31(9-10-31)29(32)33)21-6-5-7-22-20(21)8-11-41(4)28(22)43/h5-8,11-13,15,17,26,29,38H,9-10,16H2,1-4H3,(H,35,36,37)/t26-/m0/s1
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n/an/an/an/a 11.3n/an/a7.025



Gilead Sciences Inc

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178143
PNG
(CHEMBL3813817)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C25H22N8O2/c1-2-22(35)29-17-6-5-7-18(12-17)33-21-9-4-3-8-19(21)31-25(33)23-24(26)27-14-20(30-23)16-13-28-32(15-16)10-11-34/h2-9,12-15,34H,1,10-11H2,(H2,26,27)(H,29,35)
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n/an/an/an/a 12n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270594
PNG
((S)-5-((1- (bicyclo[1.1.1]pentan- 1-yl)-1H-1,2,3- ...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2
Show InChI InChI=1S/C31H33ClN8O/c1-30(2,3)16-33-28-23-10-19(11-24(32)26(23)34-17-35-28)36-27(25-15-40(38-37-25)31-12-18(13-31)14-31)21-6-5-7-22-20(21)8-9-39(4)29(22)41/h5-11,15,17-18,27,36H,12-14,16H2,1-4H3,(H,33,34,35)/t18?,27-,31?/m0/s1
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n/an/an/an/a 12.1n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10577352 (2020)


BindingDB Entry DOI: 10.7270/Q20P12D3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270594
PNG
((S)-5-((1- (bicyclo[1.1.1]pentan- 1-yl)-1H-1,2,3- ...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2
Show InChI InChI=1S/C31H33ClN8O/c1-30(2,3)16-33-28-23-10-19(11-24(32)26(23)34-17-35-28)36-27(25-15-40(38-37-25)31-12-18(13-31)14-31)21-6-5-7-22-20(21)8-9-39(4)29(22)41/h5-11,15,17-18,27,36H,12-14,16H2,1-4H3,(H,33,34,35)/t18?,27-,31?/m0/s1
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n/an/an/an/a 12.1n/an/a7.025



Gilead Sciences Inc

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177904
PNG
(CHEMBL3814756)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C32H34N10O2/c1-4-28(43)36-22-8-7-9-24(16-22)42-27-11-6-5-10-25(27)38-32(42)30-31(33)34-18-26(37-30)21-17-35-41(19-21)23-12-14-40(15-13-23)29(44)20-39(2)3/h4-11,16-19,23H,1,12-15,20H2,2-3H3,(H2,33,34)(H,36,43)
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n/an/an/an/a 13n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177907
PNG
(CHEMBL3814884)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C31H33N9O/c1-4-28(41)35-22-8-7-9-24(16-22)40-27-11-6-5-10-25(27)37-31(40)29-30(32)33-18-26(36-29)21-17-34-39(19-21)23-12-14-38(15-13-23)20(2)3/h4-11,16-20,23H,1,12-15H2,2-3H3,(H2,32,33)(H,35,41)
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177903
PNG
(CHEMBL3814825)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h3-10,15-18,21H,1,11-14H2,2H3,(H2,30,31)(H,33,39)
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177909
PNG
(CHEMBL3814819)
Show SMILES CN1CCN(CCn2cc(cn2)-c2cnc(N)c(n2)-c2nc3ccccc3n2-c2cccc(NC(=O)C=C)c2)CC1
Show InChI InChI=1S/C30H32N10O/c1-3-27(41)34-22-7-6-8-23(17-22)40-26-10-5-4-9-24(26)36-30(40)28-29(31)32-19-25(35-28)21-18-33-39(20-21)16-15-38-13-11-37(2)12-14-38/h3-10,17-20H,1,11-16H2,2H3,(H2,31,32)(H,34,41)
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177909
PNG
(CHEMBL3814819)
Show SMILES CN1CCN(CCn2cc(cn2)-c2cnc(N)c(n2)-c2nc3ccccc3n2-c2cccc(NC(=O)C=C)c2)CC1
Show InChI InChI=1S/C30H32N10O/c1-3-27(41)34-22-7-6-8-23(17-22)40-26-10-5-4-9-24(26)36-30(40)28-29(31)32-19-25(35-28)21-18-33-39(20-21)16-15-38-13-11-37(2)12-14-38/h3-10,17-20H,1,11-16H2,2H3,(H2,31,32)(H,34,41)
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177904
PNG
(CHEMBL3814756)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C32H34N10O2/c1-4-28(43)36-22-8-7-9-24(16-22)42-27-11-6-5-10-25(27)38-32(42)30-31(33)34-18-26(37-30)21-17-35-41(19-21)23-12-14-40(15-13-23)29(44)20-39(2)3/h4-11,16-19,23H,1,12-15,20H2,2-3H3,(H2,33,34)(H,36,43)
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177908
PNG
(CHEMBL3814376)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-21-8-7-9-23(16-21)39-26-11-6-5-10-24(26)36-30(39)28-29(31)32-18-25(35-28)20-17-33-38(19-20)22-12-14-37(4-2)15-13-22/h3,5-11,16-19,22H,1,4,12-15H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 16n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 16n/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520591
PNG
(CHEMBL4467561)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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n/an/an/an/a 17n/an/an/an/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177905
PNG
(CHEMBL3813997)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(c1)C1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C30H29N9O3/c1-2-26(41)34-20-6-5-7-22(14-20)39-25-9-4-3-8-23(25)36-30(39)28-29(31)32-16-24(35-28)19-15-33-38(17-19)21-10-12-37(13-11-21)27(42)18-40/h2-9,14-17,21,40H,1,10-13,18H2,(H2,31,32)(H,34,41)
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n/an/an/an/a 18n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 18n/an/an/an/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
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177849
PNG
(CHEMBL3814714)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2cnccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-7-10-30-15-23(24)35-28(38)26-27(29)31-16-22(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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n/an/an/an/a 18n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520587
PNG
(CHEMBL4540442)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H36N8O4S/c1-8-26(36)30-20-17-21(23(39-7)18-22(20)35(6)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)40(37,38)34(4)5/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,36)(H2,28,29,31,32)
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n/an/an/an/a 19n/an/an/an/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520586
PNG
(CHEMBL4531697)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36IN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520591
PNG
(CHEMBL4467561)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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n/an/an/an/a 19n/an/an/an/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520591
PNG
(CHEMBL4467561)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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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
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