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PubMed code 16078851

Compile data set for download or QSAR
Found 47 hits of 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


(Homo sapiens (human))
BDBM50171516
PNG
(CHEMBL363815 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C17H11Cl2FN4O/c1-2-16(25)23-9-3-4-14-10(5-9)17(22-8-21-14)24-15-7-12(19)11(18)6-13(15)20/h2-8H,1H2,(H,23,25)(H,21,22,24)
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n/an/a 0.0400n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 0.0700n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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n/an/a 0.110n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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n/an/a 0.120n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171523
PNG
((4,5-Dichloro-2-fluoro-phenyl)-(6,7-dimethoxy-quin...)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H12Cl2FN3O2/c1-23-14-3-8-12(6-15(14)24-2)20-7-21-16(8)22-13-5-10(18)9(17)4-11(13)19/h3-7H,1-2H3,(H,20,21,22)
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n/an/a 0.210n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 0.410n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171524
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-iodo-ph...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C20H20IN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 0.940n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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n/an/a 4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER1 kinase in intact DHER14 cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171518
PNG
(CHEMBL193159 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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n/an/a<5n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171524
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-iodo-ph...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C20H20IN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a<5n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171523
PNG
((4,5-Dichloro-2-fluoro-phenyl)-(6,7-dimethoxy-quin...)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H12Cl2FN3O2/c1-23-14-3-8-12(6-15(14)24-2)20-7-21-16(8)22-13-5-10(18)9(17)4-11(13)19/h3-7H,1-2H3,(H,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 3-5 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171524
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-iodo-ph...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C20H20IN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171518
PNG
(CHEMBL193159 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 4-10 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 4-10 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1-10 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1-10 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 15n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER1 kinase in intact DHER14 cells; Range = 5-15 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171516
PNG
(CHEMBL363815 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C17H11Cl2FN4O/c1-2-16(25)23-9-3-4-14-10(5-9)17(22-8-21-14)24-15-7-12(19)11(18)6-13(15)20/h2-8H,1H2,(H,23,25)(H,21,22,24)
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n/an/a 20n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 6.7-20 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171516
PNG
(CHEMBL363815 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C17H11Cl2FN4O/c1-2-16(25)23-9-3-4-14-10(5-9)17(22-8-21-14)24-15-7-12(19)11(18)6-13(15)20/h2-8H,1H2,(H,23,25)(H,21,22,24)
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n/an/a 20n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 6.7-20 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 5-25 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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n/an/a 30n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171518
PNG
(CHEMBL193159 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
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n/an/a 32n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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n/an/a 50n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 10-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 50n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER2 kinase in intact CSH12 cells; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER2 kinase in intact CSH12 cells; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171522
PNG
(CHEMBL190567 | N-[4-(3-Iodo-phenylamino)-quinazoli...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C17H15IN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 150n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171521
PNG
(CHEMBL192737 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 174n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171517
PNG
(CHEMBL372246 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H21Cl2FN6O/c1-3-21(32)28-19-8-13-17(11-20(19)31-6-4-30(2)5-7-31)26-12-27-22(13)29-18-10-15(24)14(23)9-16(18)25/h3,8-12H,1,4-7H2,2H3,(H,28,32)(H,26,27,29)
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n/an/a 250n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a>250n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER1 kinase in intact DHER14 cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171519
PNG
(CHEMBL365805 | N-[4-(3-Bromo-phenylamino)-7-(4-met...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H23BrN6O/c1-3-21(30)27-19-12-17-18(13-20(19)29-9-7-28(2)8-10-29)24-14-25-22(17)26-16-6-4-5-15(23)11-16/h3-6,11-14H,1,7-10H2,2H3,(H,27,30)(H,24,25,26)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 50-250 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 252n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171517
PNG
(CHEMBL372246 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H21Cl2FN6O/c1-3-21(32)28-19-8-13-17(11-20(19)31-6-4-30(2)5-7-31)26-12-27-22(13)29-18-10-15(24)14(23)9-16(18)25/h3,8-12H,1,4-7H2,2H3,(H,28,32)(H,26,27,29)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER2 kinase in intact CSH12 cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171519
PNG
(CHEMBL365805 | N-[4-(3-Bromo-phenylamino)-7-(4-met...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H23BrN6O/c1-3-21(30)27-19-12-17-18(13-20(19)29-9-7-28(2)8-10-29)24-14-25-22(17)26-16-6-4-5-15(23)11-16/h3-6,11-14H,1,7-10H2,2H3,(H,27,30)(H,24,25,26)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR kinase in intact NIHPDGFR cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50171520
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(18)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR kinase in intact NIHPDGFR cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR kinase in intact NIHPDGFR cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171522
PNG
(CHEMBL190567 | N-[4-(3-Iodo-phenylamino)-quinazoli...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C17H15IN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000-5000 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171517
PNG
(CHEMBL372246 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H21Cl2FN6O/c1-3-21(32)28-19-8-13-17(11-20(19)31-6-4-30(2)5-7-31)26-12-27-22(13)29-18-10-15(24)14(23)9-16(18)25/h3,8-12H,1,4-7H2,2H3,(H,28,32)(H,26,27,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000-10000 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171519
PNG
(CHEMBL365805 | N-[4-(3-Bromo-phenylamino)-7-(4-met...)
Show SMILES CN1CCN(CC1)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H23BrN6O/c1-3-21(30)27-19-12-17-18(13-20(19)29-9-7-28(2)8-10-29)24-14-25-22(17)26-16-6-4-5-15(23)11-16/h3-6,11-14H,1,7-10H2,2H3,(H,27,30)(H,24,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171521
PNG
(CHEMBL192737 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a>1.30E+4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171522
PNG
(CHEMBL190567 | N-[4-(3-Iodo-phenylamino)-quinazoli...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C17H15IN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171515
PNG
(CHEMBL190651 | N-[4-(4,5-Dichloro-2-fluoro-phenyla...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
Show InChI InChI=1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6,8H,7H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 10000-50000 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171521
PNG
(CHEMBL192737 | N-[4-(3-Bromo-phenylamino)-quinazol...)
Show SMILES COCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%