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PubMed code 26275028

Compile data set for download or QSAR
Found 50 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))		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<1n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111480
PNG
(CHEMBL3604943)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H31N7O2/c1-5-27(36)30-22-16-23(26(37-4)17-25(22)35-14-12-33(2)13-15-35)32-28-29-11-10-21(31-28)20-18-34(3)24-9-7-6-8-19(20)24/h5-11,16-18H,1,12-15H2,2-4H3,(H,30,36)(H,29,31,32)
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n/an/a 2n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
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 10n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111473
PNG
(CHEMBL3604937)
Show SMILES CN1CCN(CC1)c1cc(Nc2n[nH]c3ccccc23)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C25H26N8O2/c1-3-23(34)26-17-7-6-8-18(15-17)35-25-28-21(16-22(29-25)33-13-11-32(2)12-14-33)27-24-19-9-4-5-10-20(19)30-31-24/h3-10,15-16H,1,11-14H2,2H3,(H,26,34)(H2,27,28,29,30,31)
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n/an/a 17n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111472
PNG
(CHEMBL3604921)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C22H26N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111470
PNG
(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 43n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111471
PNG
(CHEMBL3604910)
Show SMILES CCC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 48n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111471
PNG
(CHEMBL3604910)
Show SMILES CCC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 60n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111470
PNG
(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 65n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111472
PNG
(CHEMBL3604921)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C22H26N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 170n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111470
PNG
(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 211n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type cSrc (251 to 533 residues) (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM153729
PNG
(N-(3-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-me...)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C22H28N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h5-7,12-14H,4,8-11H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 254n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111474
PNG
(CHEMBL3604938)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C25H28N8O2/c1-3-23(34)26-17-7-6-8-18(15-17)35-25-28-21(16-22(29-25)33-13-11-32(2)12-14-33)27-24-19-9-4-5-10-20(19)30-31-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)
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n/an/a 260n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50111471
PNG
(CHEMBL3604910)
Show SMILES CCC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 336n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type cSrc (251 to 533 residues) (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM153729
PNG
(N-(3-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-me...)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C22H28N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h5-7,12-14H,4,8-11H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 349n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111482
PNG
(CHEMBL3604917)
Show SMILES C=CC(=O)Nc1cc(Nc2cc[nH]n2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C16H14N6O/c1-2-15(23)19-14-10-13(18-12-8-9-17-22-12)20-16(21-14)11-6-4-3-5-7-11/h2-10H,1H2,(H3,17,18,19,20,21,22,23)
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n/an/a 900n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111484
PNG
(CHEMBL3604920)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C22H26N8O2/c1-4-21(31)23-16-7-5-6-8-17(16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h4-8,13-14H,1,9-12H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 900n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111490
PNG
(CHEMBL3604912)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-7-5-6-13(12-14)19-23-16-9-4-3-8-15(16)20(25-19)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111450
PNG
(CHEMBL3604935)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H33N9O2/c1-18-16-22(31-30-18)27-21-17-23(34-14-12-33(4)13-15-34)29-25(28-21)36-20-9-7-19(8-10-20)26-24(35)6-5-11-32(2)3/h5-10,16-17H,11-15H2,1-4H3,(H,26,35)(H2,27,28,29,30,31)/b6-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111473
PNG
(CHEMBL3604937)
Show SMILES CN1CCN(CC1)c1cc(Nc2n[nH]c3ccccc23)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C25H26N8O2/c1-3-23(34)26-17-7-6-8-18(15-17)35-25-28-21(16-22(29-25)33-13-11-32(2)12-14-33)27-24-19-9-4-5-10-20(19)30-31-24/h3-10,15-16H,1,11-14H2,2H3,(H,26,34)(H2,27,28,29,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111475
PNG
(CHEMBL3604936)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(NC(=O)\C=C\C(F)(F)F)cc2)n1
Show InChI InChI=1S/C23H25F3N8O2/c1-15-13-19(32-31-15)28-18-14-20(34-11-9-33(2)10-12-34)30-22(29-18)36-17-5-3-16(4-6-17)27-21(35)7-8-23(24,25)26/h3-8,13-14H,9-12H2,1-2H3,(H,27,35)(H2,28,29,30,31,32)/b8-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111478
PNG
(CHEMBL3604940)
Show SMILES CN1CCN(CC1)c1cc(Nc2n[nH]c3ccc(Br)cc23)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C25H25BrN8O2/c1-3-23(35)27-17-5-4-6-18(14-17)36-25-29-21(15-22(30-25)34-11-9-33(2)10-12-34)28-24-19-13-16(26)7-8-20(19)31-32-24/h3-8,13-15H,1,9-12H2,2H3,(H,27,35)(H2,28,29,30,31,32)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111485
PNG
(CHEMBL3604922)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(NC(=O)C=C)cc2)n1
Show InChI InChI=1S/C22H26N8O2/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h4-8,13-14H,1,9-12H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111479
PNG
(CHEMBL3604941)
Show SMILES CC(=O)N1CCN(CC1)c1cc(Nc2n[nH]c3ccccc23)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C26H26N8O3/c1-3-24(36)27-18-7-6-8-19(15-18)37-26-29-22(28-25-20-9-4-5-10-21(20)31-32-25)16-23(30-26)34-13-11-33(12-14-34)17(2)35/h3-10,15-16H,1,11-14H2,2H3,(H,27,36)(H2,28,29,30,31,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111487
PNG
(CHEMBL3604915)
Show SMILES CCC(=O)Nc1cccc(c1)-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-7-5-6-13(12-14)19-23-16-9-4-3-8-15(16)20(25-19)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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n/an/a 3.70E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153717
PNG
(N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C19H22N8O3/c1-13-10-17(24-23-13)20-16-12-18(26-8-6-25(2)7-9-26)22-19(21-16)30-15-5-3-4-14(11-15)27(28)29/h3-5,10-12H,6-9H2,1-2H3,(H2,20,21,22,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111477
PNG
(CHEMBL3604939)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C28H33N9O2/c1-35(2)13-7-12-26(38)29-20-8-6-9-21(18-20)39-28-31-24(19-25(32-28)37-16-14-36(3)15-17-37)30-27-22-10-4-5-11-23(22)33-34-27/h4-12,18-19H,13-17H2,1-3H3,(H,29,38)(H2,30,31,32,33,34)/b12-7+
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n/an/a 6.70E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111447
PNG
(CHEMBL3604933)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C21H24N8O2/c1-3-20(30)23-15-5-4-6-16(13-15)31-21-25-18(24-17-7-8-22-27-17)14-19(26-21)29-11-9-28(2)10-12-29/h3-8,13-14H,1,9-12H2,2H3,(H,23,30)(H2,22,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153730
PNG
(N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-me...)
Show SMILES CCC(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C22H28N8O2/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111474
PNG
(CHEMBL3604938)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C25H28N8O2/c1-3-23(34)26-17-7-6-8-18(15-17)35-25-28-21(16-22(29-25)33-13-11-32(2)12-14-33)27-24-19-9-4-5-10-20(19)30-31-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111493
PNG
(CHEMBL3604919)
Show SMILES Cc1cc(Nc2ccnc(n2)-c2cccc(NC(=O)C=C)c2)n[nH]1
Show InChI InChI=1S/C17H16N6O/c1-3-16(24)19-13-6-4-5-12(10-13)17-18-8-7-14(21-17)20-15-9-11(2)22-23-15/h3-10H,1H2,2H3,(H,19,24)(H2,18,20,21,22,23)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111489
PNG
(CHEMBL3604913)
Show SMILES C=CC(=O)Nc1ccc(cc1)-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-9-7-13(8-10-14)19-23-16-6-4-3-5-15(16)20(25-19)24-17-11-12-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111491
PNG
(CHEMBL3604911)
Show SMILES C=CC(=O)Nc1ccccc1-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-15-9-5-3-7-13(15)19-23-16-10-6-4-8-14(16)20(25-19)24-17-11-12-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111470
PNG
(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153718
PNG
(N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-5-3-14(4-6-15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111472
PNG
(CHEMBL3604921)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C22H26N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153728
PNG
(2-(4-Aminophenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(N)cc2)n1
Show InChI InChI=1S/C19H24N8O/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)28-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10,20H2,1-2H3,(H2,21,22,23,24,25)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111481
PNG
(CHEMBL3604916)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-9-7-13(8-10-14)19-23-16-6-4-3-5-15(16)20(25-19)24-17-11-12-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111488
PNG
(CHEMBL3604914)
Show SMILES CCC(=O)Nc1ccccc1-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-15-9-5-3-7-13(15)19-23-16-10-6-4-8-14(16)20(25-19)24-17-11-12-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111442
PNG
(CHEMBL3604932)
Show SMILES CCC(=O)Nc1cccc(Oc2nccc(Nc3cc(C)[nH]n3)n2)c1
Show InChI InChI=1S/C17H18N6O2/c1-3-16(24)19-12-5-4-6-13(10-12)25-17-18-8-7-14(21-17)20-15-9-11(2)22-23-15/h4-10H,3H2,1-2H3,(H,19,24)(H2,18,20,21,22,23)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111436
PNG
(CHEMBL3604931)
Show SMILES Cc1cc(Nc2ccnc(Oc3cccc(NC(=O)C=C)c3)n2)n[nH]1
Show InChI InChI=1S/C17H16N6O2/c1-3-16(24)19-12-5-4-6-13(10-12)25-17-18-8-7-14(21-17)20-15-9-11(2)22-23-15/h3-10H,1H2,2H3,(H,19,24)(H2,18,20,21,22,23)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111397
PNG
(CHEMBL3604929)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(N)c2)n1
Show InChI InChI=1S/C19H24N8O/c1-13-10-17(25-24-13)21-16-12-18(27-8-6-26(2)7-9-27)23-19(22-16)28-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9,20H2,1-2H3,(H2,21,22,23,24,25)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153716
PNG
(N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccccc2[N+]([O-])=O)n1
Show InChI InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-6-4-3-5-14(15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111492
PNG
(CHEMBL3604942)
Show SMILES CN1CCN(CC1)c1cc(Nc2n[nH]c3ccccc23)nc(n1)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H26N8O/c1-3-23(34)26-18-8-6-7-17(15-18)24-27-21(16-22(29-24)33-13-11-32(2)12-14-33)28-25-19-9-4-5-10-20(19)30-31-25/h3-10,15-16H,1,11-14H2,2H3,(H,26,34)(H2,27,28,29,30,31)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111483
PNG
(CHEMBL3604918)
Show SMILES CCC(=O)Nc1cc(Nc2cc[nH]n2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C16H16N6O/c1-2-15(23)19-14-10-13(18-12-8-9-17-22-12)20-16(21-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,19,20,21,22,23)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM153729
PNG
(N-(3-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-me...)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C22H28N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h5-7,12-14H,4,8-11H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111486
PNG
(CHEMBL3604923)
Show SMILES CCC(=O)Nc1ccccc1Oc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C22H28N8O2/c1-4-21(31)23-16-7-5-6-8-17(16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111471
PNG
(CHEMBL3604910)
Show SMILES CCC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50111449
PNG
(CHEMBL3604934)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3cc[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C21H26N8O2/c1-3-20(30)23-15-5-4-6-16(13-15)31-21-25-18(24-17-7-8-22-27-17)14-19(26-21)29-11-9-28(2)10-12-29/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,30)(H2,22,24,25,26,27)
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TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...

J Med Chem 58: 6844-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01082
BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%