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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'chorley' and Initial = 'c'   
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


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 0.570n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 0.630n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50029670
PNG
(CHEMBL2426277 | US10227342, Example 26)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50029667
PNG
(CHEMBL2426288)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24ClN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493289
PNG
(CHEMBL2426278)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28ClN7O2/c1-4-25(36)31-21-13-22(24(37-3)14-23(21)35-11-9-34(2)10-12-35)32-27-30-16-19(28)26(33-27)18-15-29-20-8-6-5-7-17(18)20/h4-8,13-16,29H,1,9-12H2,2-3H3,(H,31,36)(H,30,32,33)
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n/an/a 5.60n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 5.90n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50029685
PNG
(CHEMBL3353404 | US10227342, Example 52)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H29ClN8O2/c1-6-24(36)30-19-13-20(23(37-5)14-22(19)34(4)12-11-33(2)3)31-26-28-16-18(27)25(32-26)17-15-29-35-10-8-7-9-21(17)35/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,36)(H,28,31,32)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50029684
PNG
(CHEMBL3353403)
Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r|
Show InChI InChI=1S/C27H29ClN8O2/c1-5-25(37)31-20-12-21(24(38-4)13-23(20)35-11-9-17(16-35)34(2)3)32-27-29-15-19(28)26(33-27)18-14-30-36-10-7-6-8-22(18)36/h5-8,10,12-15,17H,1,9,11,16H2,2-4H3,(H,31,37)(H,29,32,33)/t17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 8.70n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (Human))
BDBM50029685
PNG
(CHEMBL3353404 | US10227342, Example 52)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H29ClN8O2/c1-6-24(36)30-19-13-20(23(37-5)14-22(19)34(4)12-11-33(2)3)31-26-28-16-18(27)25(32-26)17-15-29-35-10-8-7-9-21(17)35/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,36)(H,28,31,32)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 11n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 12n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029669
PNG
(CHEMBL2426279)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32)
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n/an/a 15n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029669
PNG
(CHEMBL2426279)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32)
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n/an/a 17n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029670
PNG
(CHEMBL2426277 | US10227342, Example 26)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32)
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n/an/a 19n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029670
PNG
(CHEMBL2426277 | US10227342, Example 26)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32)
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n/an/a 19n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50029684
PNG
(CHEMBL3353403)
Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r|
Show InChI InChI=1S/C27H29ClN8O2/c1-5-25(37)31-20-12-21(24(38-4)13-23(20)35-11-9-17(16-35)34(2)3)32-27-29-15-19(28)26(33-27)18-14-30-36-10-7-6-8-22(18)36/h5-8,10,12-15,17H,1,9,11,16H2,2-4H3,(H,31,37)(H,29,32,33)/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493288
PNG
(CHEMBL2426282)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28)
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n/an/a 22n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 23n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493289
PNG
(CHEMBL2426278)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28ClN7O2/c1-4-25(36)31-21-13-22(24(37-3)14-23(21)35-11-9-34(2)10-12-35)32-27-30-16-19(28)26(33-27)18-15-29-20-8-6-5-7-17(18)20/h4-8,13-16,29H,1,9-12H2,2-3H3,(H,31,36)(H,30,32,33)
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n/an/a 23n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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n/an/a 23n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50029686
PNG
(CHEMBL3353405 | US10227342, Example 25)
Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-5-24(36)30-19-10-20(23(37-4)11-22(19)34-14-16(15-34)33(2)3)31-26-28-13-18(27)25(32-26)17-12-29-35-9-7-6-8-21(17)35/h5-13,16H,1,14-15H2,2-4H3,(H,30,36)(H,28,31,32)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493288
PNG
(CHEMBL2426282)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28)
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n/an/a 29n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493291
PNG
(CHEMBL2426286)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H17ClN6O2/c1-3-19(29)25-13-7-8-18(30-2)16(10-13)26-21-23-12-15(22)20(27-21)14-11-24-28-9-5-4-6-17(14)28/h3-12H,1H2,2H3,(H,25,29)(H,23,26,27)
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n/an/a 33n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50029686
PNG
(CHEMBL3353405 | US10227342, Example 25)
Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-5-24(36)30-19-10-20(23(37-4)11-22(19)34-14-16(15-34)33(2)3)31-26-28-13-18(27)25(32-26)17-12-29-35-9-7-6-8-21(17)35/h5-13,16H,1,14-15H2,2-4H3,(H,30,36)(H,28,31,32)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 42n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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n/an/a 44n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493298
PNG
(CHEMBL2426287)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H25ClN6O2/c1-32(2)12-6-9-23(33)29-16-10-11-22(34-3)21(13-16)30-25-28-15-19(26)24(31-25)18-14-27-20-8-5-4-7-17(18)20/h4-11,13-15,27H,12H2,1-3H3,(H,29,33)(H,28,30,31)/b9-6+
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n/an/a 53n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 62n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029669
PNG
(CHEMBL2426279)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32)
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n/an/a 63n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029669
PNG
(CHEMBL2426279)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32)
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n/an/a 68n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493285
PNG
(CHEMBL2424676)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
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n/an/a 71n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 77n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493293
PNG
(CHEMBL2426281)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
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n/an/a 81n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493298
PNG
(CHEMBL2426287)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H25ClN6O2/c1-32(2)12-6-9-23(33)29-16-10-11-22(34-3)21(13-16)30-25-28-15-19(26)24(31-25)18-14-27-20-8-5-4-7-17(18)20/h4-11,13-15,27H,12H2,1-3H3,(H,29,33)(H,28,30,31)/b9-6+
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n/an/a 85n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029667
PNG
(CHEMBL2426288)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24ClN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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n/an/a 91n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029667
PNG
(CHEMBL2426288)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24ClN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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n/an/a 96n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029670
PNG
(CHEMBL2426277 | US10227342, Example 26)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32)
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n/an/a 140n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493285
PNG
(CHEMBL2424676)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
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n/an/a 140n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029670
PNG
(CHEMBL2426277 | US10227342, Example 26)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32)
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n/an/a 140n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493291
PNG
(CHEMBL2426286)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H17ClN6O2/c1-3-19(29)25-13-7-8-18(30-2)16(10-13)26-21-23-12-15(22)20(27-21)14-11-24-28-9-5-4-6-17(14)28/h3-12H,1H2,2H3,(H,25,29)(H,23,26,27)
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n/an/a 150n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029664
PNG
(CHEMBL3353408 | US10227342, Example 56)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H30ClN7O2/c1-6-25(36)31-21-13-22(24(37-5)14-23(21)35(4)12-11-34(2)3)32-27-30-16-19(28)26(33-27)18-15-29-20-10-8-7-9-17(18)20/h6-10,13-16,29H,1,11-12H2,2-5H3,(H,31,36)(H,30,32,33)
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n/an/a 200n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493294
PNG
(CHEMBL2426290)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(F)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24FN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493297
PNG
(CHEMBL2426377)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(C)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C25H27N7O2/c1-17-15-26-25(30-24(17)19-16-27-32-13-6-5-8-21(19)32)29-20-14-18(10-11-22(20)34-4)28-23(33)9-7-12-31(2)3/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493286
PNG
(CHEMBL2426289)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493293
PNG
(CHEMBL2426281)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493297
PNG
(CHEMBL2426377)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(C)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C25H27N7O2/c1-17-15-26-25(30-24(17)19-16-27-32-13-6-5-8-21(19)32)29-20-14-18(10-11-22(20)34-4)28-23(33)9-7-12-31(2)3/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493294
PNG
(CHEMBL2426290)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(F)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24FN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029667
PNG
(CHEMBL2426288)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H24ClN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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n/an/a 388n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493286
PNG
(CHEMBL2426289)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
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n/an/a 390n/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 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
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