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PubMed code 25975640

Compile data set for download or QSAR
Found 60 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))		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 0.190n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
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 0.420n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
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 16n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084025
PNG
(CHEMBL3425661)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccncc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H29ClN8O3/c1-39-12-14-40(15-13-39)24-6-7-27(28(18-24)42-2)37-31-35-20-26(32)30(38-31)43-25-5-3-4-23(17-25)36-29(41)22(19-33)16-21-8-10-34-11-9-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,41)(H,35,37,38)/b22-16+
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n/an/a 37n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084027
PNG
(CHEMBL3425663)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+
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n/an/a 81n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084028
PNG
(CHEMBL3425664)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a 83n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084015
PNG
(CHEMBL3425655)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClFN7O3/c1-40-12-14-41(15-13-40)25-10-11-28(29(18-25)43-2)38-32-36-20-27(33)31(39-32)44-26-5-3-4-24(17-26)37-30(42)22(19-35)16-21-6-8-23(34)9-7-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,37,42)(H,36,38,39)/b22-16+
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n/an/a 120n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084025
PNG
(CHEMBL3425661)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccncc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H29ClN8O3/c1-39-12-14-40(15-13-39)24-6-7-27(28(18-24)42-2)37-31-35-20-26(32)30(38-31)43-25-5-3-4-23(17-25)36-29(41)22(19-33)16-21-8-10-34-11-9-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,41)(H,35,37,38)/b22-16+
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n/an/a 150n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084036
PNG
(CHEMBL3425671)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)
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n/an/a 180n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084026
PNG
(CHEMBL3425662)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccco3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H28ClN7O4/c1-37-10-12-38(13-11-37)22-8-9-26(27(17-22)40-2)35-30-33-19-25(31)29(36-30)42-24-6-3-5-21(16-24)34-28(39)20(18-32)15-23-7-4-14-41-23/h3-9,14-17,19H,10-13H2,1-2H3,(H,34,39)(H,33,35,36)/b20-15+
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n/an/a 330n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084027
PNG
(CHEMBL3425663)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+
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n/an/a 350n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084028
PNG
(CHEMBL3425664)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a 350n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084030
PNG
(CHEMBL3425666)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-30(2,3)17-20(18-32)27(39)34-21-7-6-8-23(15-21)41-28-24(31)19-33-29(36-28)35-25-10-9-22(16-26(25)40-5)38-13-11-37(4)12-14-38/h6-10,15-17,19H,11-14H2,1-5H3,(H,34,39)(H,33,35,36)/b20-17+
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n/an/a 400n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084036
PNG
(CHEMBL3425671)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)
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n/an/a 490n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084020
PNG
(CHEMBL3425656)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(SC)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H32ClN7O3S/c1-40-13-15-41(16-14-40)25-9-12-29(30(19-25)43-2)38-33-36-21-28(34)32(39-33)44-26-6-4-5-24(18-26)37-31(42)23(20-35)17-22-7-10-27(45-3)11-8-22/h4-12,17-19,21H,13-16H2,1-3H3,(H,37,42)(H,36,38,39)/b23-17+
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n/an/a 510n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084015
PNG
(CHEMBL3425655)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClFN7O3/c1-40-12-14-41(15-13-40)25-10-11-28(29(18-25)43-2)38-32-36-20-27(33)31(39-32)44-26-5-3-4-24(17-26)37-30(42)22(19-35)16-21-6-8-23(34)9-7-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,37,42)(H,36,38,39)/b22-16+
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n/an/a 540n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084022
PNG
(CHEMBL3425658)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cccc(c3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-11-13-40(14-12-39)24-9-10-28(29(18-24)45-2)37-32-35-20-27(33)31(38-32)46-26-8-4-6-23(17-26)36-30(42)22(19-34)15-21-5-3-7-25(16-21)41(43)44/h3-10,15-18,20H,11-14H2,1-2H3,(H,36,42)(H,35,37,38)/b22-15+
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n/an/a 720n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084038
PNG
(CHEMBL3425673)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCC3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H33ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,9-10,16-19H,6-8,11-15H2,1-2H3,(H,31,36)(H,30,32,33)
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n/an/a 770n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084029
PNG
(CHEMBL3425665)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H32ClN7O3/c1-19(2)14-20(17-31)27(38)33-21-6-5-7-23(15-21)40-28-24(30)18-32-29(35-28)34-25-9-8-22(16-26(25)39-4)37-12-10-36(3)11-13-37/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a 800n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084037
PNG
(CHEMBL3425672)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)\C=C\C3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H31ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,8-11,16-19H,6-7,12-15H2,1-2H3,(H,31,36)(H,30,32,33)/b11-8+
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n/an/a 830n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084020
PNG
(CHEMBL3425656)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(SC)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H32ClN7O3S/c1-40-13-15-41(16-14-40)25-9-12-29(30(19-25)43-2)38-33-36-21-28(34)32(39-33)44-26-6-4-5-24(18-26)37-31(42)23(20-35)17-22-7-10-27(45-3)11-8-22/h4-12,17-19,21H,13-16H2,1-3H3,(H,37,42)(H,36,38,39)/b23-17+
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n/an/a 830n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
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n/an/a 940n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084021
PNG
(CHEMBL3425657)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-12-14-40(15-13-39)25-10-11-28(29(18-25)45-2)37-32-35-20-27(33)31(38-32)46-26-5-3-4-23(17-26)36-30(42)22(19-34)16-21-6-8-24(9-7-21)41(43)44/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,42)(H,35,37,38)/b22-16+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084029
PNG
(CHEMBL3425665)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H32ClN7O3/c1-19(2)14-20(17-31)27(38)33-21-6-5-7-23(15-21)40-28-24(30)18-32-29(35-28)34-25-9-8-22(16-26(25)39-4)37-12-10-36(3)11-13-37/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084031
PNG
(CHEMBL3425667)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CCCC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H34ClN7O3/c1-38-12-14-39(15-13-38)24-10-11-27(28(18-24)41-2)36-31-34-20-26(32)30(37-31)42-25-9-5-8-23(17-25)35-29(40)22(19-33)16-21-6-3-4-7-21/h5,8-11,16-18,20-21H,3-4,6-7,12-15H2,1-2H3,(H,35,40)(H,34,36,37)/b22-16+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084026
PNG
(CHEMBL3425662)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccco3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H28ClN7O4/c1-37-10-12-38(13-11-37)22-8-9-26(27(17-22)40-2)35-30-33-19-25(31)29(36-30)42-24-6-3-5-21(16-24)34-28(39)20(18-32)15-23-7-4-14-41-23/h3-9,14-17,19H,10-13H2,1-2H3,(H,34,39)(H,33,35,36)/b20-15+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084030
PNG
(CHEMBL3425666)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-30(2,3)17-20(18-32)27(39)34-21-7-6-8-23(15-21)41-28-24(31)19-33-29(36-28)35-25-10-9-22(16-26(25)40-5)38-13-11-37(4)12-14-38/h6-10,15-17,19H,11-14H2,1-5H3,(H,34,39)(H,33,35,36)/b20-17+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084022
PNG
(CHEMBL3425658)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cccc(c3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-11-13-40(14-12-39)24-9-10-28(29(18-24)45-2)37-32-35-20-27(33)31(38-32)46-26-8-4-6-23(17-26)36-30(42)22(19-34)15-21-5-3-7-25(16-21)41(43)44/h3-10,15-18,20H,11-14H2,1-2H3,(H,36,42)(H,35,37,38)/b22-15+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084038
PNG
(CHEMBL3425673)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCC3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H33ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,9-10,16-19H,6-8,11-15H2,1-2H3,(H,31,36)(H,30,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084031
PNG
(CHEMBL3425667)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CCCC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H34ClN7O3/c1-38-12-14-39(15-13-38)24-10-11-27(28(18-24)41-2)36-31-34-20-26(32)30(37-31)42-25-9-5-8-23(17-25)35-29(40)22(19-33)16-21-6-3-4-7-21/h5,8-11,16-18,20-21H,3-4,6-7,12-15H2,1-2H3,(H,35,40)(H,34,36,37)/b22-16+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084034
PNG
(CHEMBL3425669)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClF3N7O3/c1-43(2)24-10-8-22(9-11-24)18-27(34(36,37)38)31(46)40-23-6-5-7-26(19-23)48-32-28(35)21-39-33(42-32)41-29-13-12-25(20-30(29)47-4)45-16-14-44(3)15-17-45/h5-13,18-21H,14-17H2,1-4H3,(H,40,46)(H,39,41,42)/b27-18-
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n/an/a 2.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084021
PNG
(CHEMBL3425657)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-12-14-40(15-13-39)25-10-11-28(29(18-25)45-2)37-32-35-20-27(33)31(38-32)46-26-5-3-4-23(17-26)36-30(42)22(19-34)16-21-6-8-24(9-7-21)41(43)44/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,42)(H,35,37,38)/b22-16+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084037
PNG
(CHEMBL3425672)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)\C=C\C3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H31ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,8-11,16-19H,6-7,12-15H2,1-2H3,(H,31,36)(H,30,32,33)/b11-8+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084020
PNG
(CHEMBL3425656)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(SC)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H32ClN7O3S/c1-40-13-15-41(16-14-40)25-9-12-29(30(19-25)43-2)38-33-36-21-28(34)32(39-33)44-26-6-4-5-24(18-26)37-31(42)23(20-35)17-22-7-10-27(45-3)11-8-22/h4-12,17-19,21H,13-16H2,1-3H3,(H,37,42)(H,36,38,39)/b23-17+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084037
PNG
(CHEMBL3425672)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)\C=C\C3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H31ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,8-11,16-19H,6-7,12-15H2,1-2H3,(H,31,36)(H,30,32,33)/b11-8+
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n/an/a 5.60E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084032
PNG
(CHEMBL3425668)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClF4N6O3/c1-42-12-14-43(15-13-42)23-10-11-27(28(18-23)45-2)40-31-38-19-26(33)30(41-31)46-24-5-3-4-22(17-24)39-29(44)25(32(35,36)37)16-20-6-8-21(34)9-7-20/h3-11,16-19H,12-15H2,1-2H3,(H,39,44)(H,38,40,41)/b25-16-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084034
PNG
(CHEMBL3425669)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClF3N7O3/c1-43(2)24-10-8-22(9-11-24)18-27(34(36,37)38)31(46)40-23-6-5-7-26(19-23)48-32-28(35)21-39-33(42-32)41-29-13-12-25(20-30(29)47-4)45-16-14-44(3)15-17-45/h5-13,18-21H,14-17H2,1-4H3,(H,40,46)(H,39,41,42)/b27-18-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084015
PNG
(CHEMBL3425655)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClFN7O3/c1-40-12-14-41(15-13-40)25-10-11-28(29(18-25)43-2)38-32-36-20-27(33)31(39-32)44-26-5-3-4-24(17-26)37-30(42)22(19-35)16-21-6-8-23(34)9-7-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,37,42)(H,36,38,39)/b22-16+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084028
PNG
(CHEMBL3425664)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a 7.20E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084025
PNG
(CHEMBL3425661)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccncc3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H29ClN8O3/c1-39-12-14-40(15-13-39)24-6-7-27(28(18-24)42-2)37-31-35-20-26(32)30(38-31)43-25-5-3-4-23(17-25)36-29(41)22(19-33)16-21-8-10-34-11-9-21/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,41)(H,35,37,38)/b22-16+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084035
PNG
(CHEMBL3425670)
Show SMILES COc1ccc(\C=C(\C(=O)Nc2cccc(Oc3nc(Nc4ccc(cc4OC)N4CCN(C)CC4)ncc3Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C33H32ClF3N6O4/c1-42-13-15-43(16-14-42)23-9-12-28(29(19-23)46-3)40-32-38-20-27(34)31(41-32)47-25-6-4-5-22(18-25)39-30(44)26(33(35,36)37)17-21-7-10-24(45-2)11-8-21/h4-12,17-20H,13-16H2,1-3H3,(H,39,44)(H,38,40,41)/b26-17-
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n/an/a 8.90E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084023
PNG
(CHEMBL3425659)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClN8O3/c1-41(2)26-10-8-23(9-11-26)18-24(21-36)32(44)38-25-6-5-7-28(19-25)46-33-29(35)22-37-34(40-33)39-30-13-12-27(20-31(30)45-4)43-16-14-42(3)15-17-43/h5-13,18-20,22H,14-17H2,1-4H3,(H,38,44)(H,37,39,40)/b24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084027
PNG
(CHEMBL3425663)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084032
PNG
(CHEMBL3425668)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClF4N6O3/c1-42-12-14-43(15-13-42)23-10-11-27(28(18-23)45-2)40-31-38-19-26(33)30(41-31)46-24-5-3-4-22(17-24)39-29(44)25(32(35,36)37)16-20-6-8-21(34)9-7-20/h3-11,16-19H,12-15H2,1-2H3,(H,39,44)(H,38,40,41)/b25-16-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084035
PNG
(CHEMBL3425670)
Show SMILES COc1ccc(\C=C(\C(=O)Nc2cccc(Oc3nc(Nc4ccc(cc4OC)N4CCN(C)CC4)ncc3Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C33H32ClF3N6O4/c1-42-13-15-43(16-14-42)23-9-12-28(29(19-23)46-3)40-32-38-20-27(34)31(41-32)47-25-6-4-5-22(18-25)39-30(44)26(33(35,36)37)17-21-7-10-24(45-2)11-8-21/h4-12,17-20H,13-16H2,1-3H3,(H,39,44)(H,38,40,41)/b26-17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084023
PNG
(CHEMBL3425659)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClN8O3/c1-41(2)26-10-8-23(9-11-26)18-24(21-36)32(44)38-25-6-5-7-28(19-25)46-33-29(35)22-37-34(40-33)39-30-13-12-27(20-31(30)45-4)43-16-14-42(3)15-17-43/h5-13,18-20,22H,14-17H2,1-4H3,(H,38,44)(H,37,39,40)/b24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084034
PNG
(CHEMBL3425669)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClF3N7O3/c1-43(2)24-10-8-22(9-11-24)18-27(34(36,37)38)31(46)40-23-6-5-7-26(19-23)48-32-28(35)21-39-33(42-32)41-29-13-12-25(20-30(29)47-4)45-16-14-44(3)15-17-45/h5-13,18-21H,14-17H2,1-4H3,(H,40,46)(H,39,41,42)/b27-18-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084035
PNG
(CHEMBL3425670)
Show SMILES COc1ccc(\C=C(\C(=O)Nc2cccc(Oc3nc(Nc4ccc(cc4OC)N4CCN(C)CC4)ncc3Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C33H32ClF3N6O4/c1-42-13-15-43(16-14-42)23-9-12-28(29(19-23)46-3)40-32-38-20-27(34)31(41-32)47-25-6-4-5-22(18-25)39-30(44)26(33(35,36)37)17-21-7-10-24(45-2)11-8-21/h4-12,17-20H,13-16H2,1-3H3,(H,39,44)(H,38,40,41)/b26-17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084031
PNG
(CHEMBL3425667)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CCCC3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H34ClN7O3/c1-38-12-14-39(15-13-38)24-10-11-27(28(18-24)41-2)36-31-34-20-26(32)30(37-31)42-25-9-5-8-23(17-25)35-29(40)22(19-33)16-21-6-3-4-7-21/h5,8-11,16-18,20-21H,3-4,6-7,12-15H2,1-2H3,(H,35,40)(H,34,36,37)/b22-16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084026
PNG
(CHEMBL3425662)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccco3)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H28ClN7O4/c1-37-10-12-38(13-11-37)22-8-9-26(27(17-22)40-2)35-30-33-19-25(31)29(36-30)42-24-6-3-5-21(16-24)34-28(39)20(18-32)15-23-7-4-14-41-23/h3-9,14-17,19H,10-13H2,1-2H3,(H,34,39)(H,33,35,36)/b20-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084038
PNG
(CHEMBL3425673)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCC3CC3)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H33ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,9-10,16-19H,6-8,11-15H2,1-2H3,(H,31,36)(H,30,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084029
PNG
(CHEMBL3425665)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H32ClN7O3/c1-19(2)14-20(17-31)27(38)33-21-6-5-7-23(15-21)40-28-24(30)18-32-29(35-28)34-25-9-8-22(16-26(25)39-4)37-12-10-36(3)11-13-37/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,33,38)(H,32,34,35)/b20-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084032
PNG
(CHEMBL3425668)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C(F)(F)F)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClF4N6O3/c1-42-12-14-43(15-13-42)23-10-11-27(28(18-23)45-2)40-31-38-19-26(33)30(41-31)46-24-5-3-4-22(17-24)39-29(44)25(32(35,36)37)16-20-6-8-21(34)9-7-20/h3-11,16-19H,12-15H2,1-2H3,(H,39,44)(H,38,40,41)/b25-16-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084036
PNG
(CHEMBL3425671)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084022
PNG
(CHEMBL3425658)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cccc(c3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-11-13-40(14-12-39)24-9-10-28(29(18-24)45-2)37-32-35-20-27(33)31(38-32)46-26-8-4-6-23(17-26)36-30(42)22(19-34)15-21-5-3-7-25(16-21)41(43)44/h3-10,15-18,20H,11-14H2,1-2H3,(H,36,42)(H,35,37,38)/b22-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084021
PNG
(CHEMBL3425657)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)[N+]([O-])=O)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H29ClN8O5/c1-39-12-14-40(15-13-39)25-10-11-28(29(18-25)45-2)37-32-35-20-27(33)31(38-32)46-26-5-3-4-23(17-26)36-30(42)22(19-34)16-21-6-8-24(9-7-21)41(43)44/h3-11,16-18,20H,12-15H2,1-2H3,(H,36,42)(H,35,37,38)/b22-16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084023
PNG
(CHEMBL3425659)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C34H35ClN8O3/c1-41(2)26-10-8-23(9-11-26)18-24(21-36)32(44)38-25-6-5-7-28(19-25)46-33-29(35)22-37-34(40-33)39-30-13-12-27(20-31(30)45-4)43-16-14-42(3)15-17-43/h5-13,18-20,22H,14-17H2,1-4H3,(H,38,44)(H,37,39,40)/b24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50084030
PNG
(CHEMBL3425666)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)(C)C)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-30(2,3)17-20(18-32)27(39)34-21-7-6-8-23(15-21)41-28-24(31)19-33-29(36-28)35-25-10-9-22(16-26(25)40-5)38-13-11-37(4)12-14-38/h6-10,15-17,19H,11-14H2,1-5H3,(H,34,39)(H,33,35,36)/b20-17+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...

Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%