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PubMed code 26451770

Compile data set for download or QSAR
Found 52 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 22n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
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 31n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
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 79n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499478
PNG
(CHEMBL3740577)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-15-4-3-5-16(10-15)26-19-17(21)12-23-20(27-19)28-24-11-13-6-8-14(22)9-7-13/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 570n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499486
PNG
(CHEMBL3741762)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-4-7-21(33)28-18-5-3-6-19(13-18)29-22-20(24)15-26-23(30-22)31-27-14-16-8-10-17(25)11-9-16/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b7-4+,27-14+
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n/an/a 680n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499473
PNG
(CHEMBL3740907)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C24H24ClF2N7O/c1-15(19-10-9-16(26)12-21(19)27)32-33-24-28-14-20(25)23(31-24)30-18-7-4-6-17(13-18)29-22(35)8-5-11-34(2)3/h4-10,12-14H,11H2,1-3H3,(H,29,35)(H2,28,30,31,33)/b8-5+,32-15+
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n/an/a 720n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499484
PNG
(CHEMBL3741219)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3cn(Cc4ccccc4)c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C32H31ClN8O/c1-40(2)17-9-16-30(42)36-25-12-8-13-26(18-25)37-31-28(33)20-34-32(38-31)39-35-19-24-22-41(21-23-10-4-3-5-11-23)29-15-7-6-14-27(24)29/h3-16,18-20,22H,17,21H2,1-2H3,(H,36,42)(H2,34,37,38,39)/b16-9+,35-19+
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n/an/a 760n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499480
PNG
(CHEMBL3741436)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccccc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-6-11-21(33)28-17-8-5-9-18(13-17)29-22-19(24)15-26-23(30-22)31-27-14-16-7-3-4-10-20(16)25/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b11-6+,27-14+
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n/an/a 790n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499484
PNG
(CHEMBL3741219)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3cn(Cc4ccccc4)c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C32H31ClN8O/c1-40(2)17-9-16-30(42)36-25-12-8-13-26(18-25)37-31-28(33)20-34-32(38-31)39-35-19-24-22-41(21-23-10-4-3-5-11-23)29-15-7-6-14-27(24)29/h3-16,18-20,22H,17,21H2,1-2H3,(H,36,42)(H2,34,37,38,39)/b16-9+,35-19+
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n/an/a 790n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499473
PNG
(CHEMBL3740907)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C24H24ClF2N7O/c1-15(19-10-9-16(26)12-21(19)27)32-33-24-28-14-20(25)23(31-24)30-18-7-4-6-17(13-18)29-22(35)8-5-11-34(2)3/h4-10,12-14H,11H2,1-3H3,(H,29,35)(H2,28,30,31,33)/b8-5+,32-15+
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n/an/a 820n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499478
PNG
(CHEMBL3740577)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-15-4-3-5-16(10-15)26-19-17(21)12-23-20(27-19)28-24-11-13-6-8-14(22)9-7-13/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 860n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499484
PNG
(CHEMBL3741219)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3cn(Cc4ccccc4)c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C32H31ClN8O/c1-40(2)17-9-16-30(42)36-25-12-8-13-26(18-25)37-31-28(33)20-34-32(38-31)39-35-19-24-22-41(21-23-10-4-3-5-11-23)29-15-7-6-14-27(24)29/h3-16,18-20,22H,17,21H2,1-2H3,(H,36,42)(H2,34,37,38,39)/b16-9+,35-19+
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n/an/a 880n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499478
PNG
(CHEMBL3740577)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-15-4-3-5-16(10-15)26-19-17(21)12-23-20(27-19)28-24-11-13-6-8-14(22)9-7-13/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 1.12E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499473
PNG
(CHEMBL3740907)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C24H24ClF2N7O/c1-15(19-10-9-16(26)12-21(19)27)32-33-24-28-14-20(25)23(31-24)30-18-7-4-6-17(13-18)29-22(35)8-5-11-34(2)3/h4-10,12-14H,11H2,1-3H3,(H,29,35)(H2,28,30,31,33)/b8-5+,32-15+
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n/an/a 1.25E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499475
PNG
(CHEMBL3741245)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18ClFN6O/c1-3-19(30)25-16-5-4-6-17(11-16)26-20-18(22)12-24-21(27-20)29-28-13(2)14-7-9-15(23)10-8-14/h3-12H,1H2,2H3,(H,25,30)(H2,24,26,27,29)/b28-13+
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n/an/a 1.29E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499486
PNG
(CHEMBL3741762)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-4-7-21(33)28-18-5-3-6-19(13-18)29-22-20(24)15-26-23(30-22)31-27-14-16-8-10-17(25)11-9-16/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b7-4+,27-14+
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n/an/a 1.49E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499487
PNG
(CHEMBL3739812)
Show SMILES Fc1ccccc1\C=N\Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-14-7-5-8-15(10-14)26-19-16(21)12-23-20(27-19)28-24-11-13-6-3-4-9-17(13)22/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 1.51E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499480
PNG
(CHEMBL3741436)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccccc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-6-11-21(33)28-17-8-5-9-18(13-17)29-22-19(24)15-26-23(30-22)31-27-14-16-7-3-4-10-20(16)25/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b11-6+,27-14+
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n/an/a 1.56E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499475
PNG
(CHEMBL3741245)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18ClFN6O/c1-3-19(30)25-16-5-4-6-17(11-16)26-20-18(22)12-24-21(27-20)29-28-13(2)14-7-9-15(23)10-8-14/h3-12H,1H2,2H3,(H,25,30)(H2,24,26,27,29)/b28-13+
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n/an/a 1.68E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499487
PNG
(CHEMBL3739812)
Show SMILES Fc1ccccc1\C=N\Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-14-7-5-8-15(10-14)26-19-16(21)12-23-20(27-19)28-24-11-13-6-3-4-9-17(13)22/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 1.91E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499486
PNG
(CHEMBL3741762)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-4-7-21(33)28-18-5-3-6-19(13-18)29-22-20(24)15-26-23(30-22)31-27-14-16-8-10-17(25)11-9-16/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b7-4+,27-14+
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n/an/a 2.23E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499483
PNG
(CHEMBL3740257)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H17ClF2N6O/c1-3-19(31)26-14-5-4-6-15(10-14)27-20-17(22)11-25-21(28-20)30-29-12(2)16-8-7-13(23)9-18(16)24/h3-11H,1H2,2H3,(H,26,31)(H2,25,27,28,30)/b29-12+
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n/an/a 2.27E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499485
PNG
(CHEMBL3740102)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C24H25ClFN7O/c1-16(17-9-11-18(26)12-10-17)31-32-24-27-15-21(25)23(30-24)29-20-7-4-6-19(14-20)28-22(34)8-5-13-33(2)3/h4-12,14-15H,13H2,1-3H3,(H,28,34)(H2,27,29,30,32)/b8-5+,31-16+
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n/an/a 2.35E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499482
PNG
(CHEMBL3741324)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccccn3)ncc2Cl)c1
Show InChI InChI=1S/C23H25ClN8O/c1-16(20-10-4-5-12-25-20)30-31-23-26-15-19(24)22(29-23)28-18-9-6-8-17(14-18)27-21(33)11-7-13-32(2)3/h4-12,14-15H,13H2,1-3H3,(H,27,33)(H2,26,28,29,31)/b11-7+,30-16+
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n/an/a 2.38E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499481
PNG
(CHEMBL3742128)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H22ClF2N7O/c1-33(2)10-4-7-21(34)29-17-5-3-6-18(12-17)30-22-19(24)14-27-23(31-22)32-28-13-15-8-9-16(25)11-20(15)26/h3-9,11-14H,10H2,1-2H3,(H,29,34)(H2,27,30,31,32)/b7-4+,28-13+
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n/an/a 2.51E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499481
PNG
(CHEMBL3742128)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H22ClF2N7O/c1-33(2)10-4-7-21(34)29-17-5-3-6-18(12-17)30-22-19(24)14-27-23(31-22)32-28-13-15-8-9-16(25)11-20(15)26/h3-9,11-14H,10H2,1-2H3,(H,29,34)(H2,27,30,31,32)/b7-4+,28-13+
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n/an/a 2.52E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499475
PNG
(CHEMBL3741245)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18ClFN6O/c1-3-19(30)25-16-5-4-6-17(11-16)26-20-18(22)12-24-21(27-20)29-28-13(2)14-7-9-15(23)10-8-14/h3-12H,1H2,2H3,(H,25,30)(H2,24,26,27,29)/b28-13+
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n/an/a 2.53E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499480
PNG
(CHEMBL3741436)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccccc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-6-11-21(33)28-17-8-5-9-18(13-17)29-22-19(24)15-26-23(30-22)31-27-14-16-7-3-4-10-20(16)25/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b11-6+,27-14+
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n/an/a 3.27E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499477
PNG
(CHEMBL3742146)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3cccnc3)ncc2Cl)c1
Show InChI InChI=1S/C23H25ClN8O/c1-16(17-7-5-11-25-14-17)30-31-23-26-15-20(24)22(29-23)28-19-9-4-8-18(13-19)27-21(33)10-6-12-32(2)3/h4-11,13-15H,12H2,1-3H3,(H,27,33)(H2,26,28,29,31)/b10-6+,30-16+
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n/an/a 4.32E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499487
PNG
(CHEMBL3739812)
Show SMILES Fc1ccccc1\C=N\Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-14-7-5-8-15(10-14)26-19-16(21)12-23-20(27-19)28-24-11-13-6-3-4-9-17(13)22/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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n/an/a 4.74E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobili...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499481
PNG
(CHEMBL3742128)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H22ClF2N7O/c1-33(2)10-4-7-21(34)29-17-5-3-6-18(12-17)30-22-19(24)14-27-23(31-22)32-28-13-15-8-9-16(25)11-20(15)26/h3-9,11-14H,10H2,1-2H3,(H,29,34)(H2,27,30,31,32)/b7-4+,28-13+
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n/an/a 5.11E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499479
PNG
(CHEMBL3741796)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(C)cc1
Show InChI InChI=1S/C22H21ClN6O/c1-4-20(30)25-17-6-5-7-18(12-17)26-21-19(23)13-24-22(27-21)29-28-15(3)16-10-8-14(2)9-11-16/h4-13H,1H2,2-3H3,(H,25,30)(H2,24,26,27,29)/b28-15+
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n/an/a 5.67E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499486
PNG
(CHEMBL3741762)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-4-7-21(33)28-18-5-3-6-19(13-18)29-22-20(24)15-26-23(30-22)31-27-14-16-8-10-17(25)11-9-16/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b7-4+,27-14+
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n/an/a 1.07E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499476
PNG
(CHEMBL3740614)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(F)c1
Show InChI InChI=1S/C20H15ClF2N6O/c1-2-18(30)26-14-4-3-5-15(9-14)27-19-16(21)11-24-20(28-19)29-25-10-12-6-7-13(22)8-17(12)23/h2-11H,1H2,(H,26,30)(H2,24,27,28,29)/b25-10+
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n/an/a 1.16E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499483
PNG
(CHEMBL3740257)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H17ClF2N6O/c1-3-19(31)26-14-5-4-6-15(10-14)27-20-17(22)11-25-21(28-20)30-29-12(2)16-8-7-13(23)9-18(16)24/h3-11H,1H2,2H3,(H,26,31)(H2,25,27,28,30)/b29-12+
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n/an/a 1.18E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499485
PNG
(CHEMBL3740102)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3)ncc2Cl)c1
Show InChI InChI=1S/C24H25ClFN7O/c1-16(17-9-11-18(26)12-10-17)31-32-24-27-15-21(25)23(30-24)29-20-7-4-6-19(14-20)28-22(34)8-5-13-33(2)3/h4-12,14-15H,13H2,1-3H3,(H,28,34)(H2,27,29,30,32)/b8-5+,31-16+
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n/an/a 1.53E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499477
PNG
(CHEMBL3742146)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3cccnc3)ncc2Cl)c1
Show InChI InChI=1S/C23H25ClN8O/c1-16(17-7-5-11-25-14-17)30-31-23-26-15-20(24)22(29-23)28-19-9-4-8-18(13-19)27-21(33)10-6-12-32(2)3/h4-11,13-15H,12H2,1-3H3,(H,27,33)(H2,26,28,29,31)/b10-6+,30-16+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499481
PNG
(CHEMBL3742128)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H22ClF2N7O/c1-33(2)10-4-7-21(34)29-17-5-3-6-18(12-17)30-22-19(24)14-27-23(31-22)32-28-13-15-8-9-16(25)11-20(15)26/h3-9,11-14H,10H2,1-2H3,(H,29,34)(H2,27,30,31,32)/b7-4+,28-13+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499476
PNG
(CHEMBL3740614)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(F)c1
Show InChI InChI=1S/C20H15ClF2N6O/c1-2-18(30)26-14-4-3-5-15(9-14)27-19-16(21)11-24-20(28-19)29-25-10-12-6-7-13(22)8-17(12)23/h2-11H,1H2,(H,26,30)(H2,24,27,28,29)/b25-10+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499475
PNG
(CHEMBL3741245)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18ClFN6O/c1-3-19(30)25-16-5-4-6-17(11-16)26-20-18(22)12-24-21(27-20)29-28-13(2)14-7-9-15(23)10-8-14/h3-12H,1H2,2H3,(H,25,30)(H2,24,26,27,29)/b28-13+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499482
PNG
(CHEMBL3741324)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccccn3)ncc2Cl)c1
Show InChI InChI=1S/C23H25ClN8O/c1-16(20-10-4-5-12-25-20)30-31-23-26-15-19(24)22(29-23)28-18-9-6-8-17(14-18)27-21(33)11-7-13-32(2)3/h4-12,14-15H,13H2,1-3H3,(H,27,33)(H2,26,28,29,31)/b11-7+,30-16+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499478
PNG
(CHEMBL3740577)
Show SMILES Fc1ccc(\C=N\Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-15-4-3-5-16(10-15)26-19-17(21)12-23-20(27-19)28-24-11-13-6-8-14(22)9-7-13/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499474
PNG
(CHEMBL3740802)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3c[nH]c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C25H25ClN8O/c1-34(2)12-6-11-23(35)30-18-7-5-8-19(13-18)31-24-21(26)16-28-25(32-24)33-29-15-17-14-27-22-10-4-3-9-20(17)22/h3-11,13-16,27H,12H2,1-2H3,(H,30,35)(H2,28,31,32,33)/b11-6+,29-15+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499487
PNG
(CHEMBL3739812)
Show SMILES Fc1ccccc1\C=N\Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H16ClFN6O/c1-2-18(29)25-14-7-5-8-15(10-14)26-19-16(21)12-23-20(27-19)28-24-11-13-6-3-4-9-17(13)22/h2-12H,1H2,(H,25,29)(H2,23,26,27,28)/b24-11+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499484
PNG
(CHEMBL3741219)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3cn(Cc4ccccc4)c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C32H31ClN8O/c1-40(2)17-9-16-30(42)36-25-12-8-13-26(18-25)37-31-28(33)20-34-32(38-31)39-35-19-24-22-41(21-23-10-4-3-5-11-23)29-15-7-6-14-27(24)29/h3-16,18-20,22H,17,21H2,1-2H3,(H,36,42)(H2,34,37,38,39)/b16-9+,35-19+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499480
PNG
(CHEMBL3741436)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3ccccc3F)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClFN7O/c1-32(2)12-6-11-21(33)28-17-8-5-9-18(13-17)29-22-19(24)15-26-23(30-22)31-27-14-16-7-3-4-10-20(16)25/h3-11,13-15H,12H2,1-2H3,(H,28,33)(H2,26,29,30,31)/b11-6+,27-14+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499474
PNG
(CHEMBL3740802)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C\c3c[nH]c4ccccc34)ncc2Cl)c1
Show InChI InChI=1S/C25H25ClN8O/c1-34(2)12-6-11-23(35)30-18-7-5-8-19(13-18)31-24-21(26)16-28-25(32-24)33-29-15-17-14-27-22-10-4-3-9-20(17)22/h3-11,13-16,27H,12H2,1-2H3,(H,30,35)(H2,28,31,32,33)/b11-6+,29-15+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499473
PNG
(CHEMBL3740907)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(N\N=C(/C)c3ccc(F)cc3F)ncc2Cl)c1
Show InChI InChI=1S/C24H24ClF2N7O/c1-15(19-10-9-16(26)12-21(19)27)32-33-24-28-14-20(25)23(31-24)30-18-7-4-6-17(13-18)29-22(35)8-5-11-34(2)3/h4-10,12-14H,11H2,1-3H3,(H,29,35)(H2,28,30,31,33)/b8-5+,32-15+
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Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50499479
PNG
(CHEMBL3741796)
Show SMILES C\C(=N/Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)c1ccc(C)cc1
Show InChI InChI=1S/C22H21ClN6O/c1-4-20(30)25-17-6-5-7-18(12-17)26-21-19(23)13-24-22(27-21)29-28-15(3)16-10-8-14(2)9-11-16/h4-13H,1H2,2-3H3,(H,25,30)(H2,24,26,27,29)/b28-15+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ...

Eur J Med Chem 104: 115-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.031
BindingDB Entry DOI: 10.7270/Q2VQ35NB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%