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PubMed code 27288180

Compile data set for download or QSAR
Found 83 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))
BDBM50179500
PNG
(CHEMBL3813876)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6OS/c23-18-13-16(2-4-19(18)24)28-21-17-12-15(3-5-20(17)26-14-27-21)29-22(32)25-6-1-7-30-8-10-31-11-9-30/h2-5,12-14H,1,6-11H2,(H2,25,29,32)(H,26,27,28)
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n/an/a<0.495n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
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 0.509n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179513
PNG
(CHEMBL3814257)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)
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n/an/a 0.662n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179515
PNG
(CHEMBL3814882)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)c1
Show InChI InChI=1S/C22H25BrN6O/c23-16-5-4-6-17(13-16)27-21-19-14-18(7-8-20(19)25-15-26-21)28-22(30)24-9-12-29-10-2-1-3-11-29/h4-8,13-15H,1-3,9-12H2,(H2,24,28,30)(H,25,26,27)
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n/an/a 0.772n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
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n/an/a 0.803n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179512
PNG
(CHEMBL3814211)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C15H11ClFN5O/c16-11-6-9(1-3-12(11)17)21-14-10-5-8(22-15(18)23)2-4-13(10)19-7-20-14/h1-7H,(H3,18,22,23)(H,19,20,21)
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n/an/a 0.854n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179509
PNG
(CHEMBL2031296)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179517
PNG
(CHEMBL3814956)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6O/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179514
PNG
(CHEMBL3814320)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
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n/an/a 1.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179494
PNG
(CHEMBL3815163)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 1.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50132490
PNG
(CHEMBL3633928)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179511
PNG
(CHEMBL3815074)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C18H14N4O/c1-3-13-5-4-6-14(9-13)22-18-16-10-15(21-12(2)23)7-8-17(16)19-11-20-18/h1,4-11H,2H3,(H,21,23)(H,19,20,22)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179510
PNG
(CHEMBL3814447)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C17H13N5O/c1-2-11-4-3-5-12(8-11)21-16-14-9-13(22-17(18)23)6-7-15(14)19-10-20-16/h1,3-10H,(H3,18,22,23)(H,19,20,21)
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n/an/a 2.20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179496
PNG
(CHEMBL3813728)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179519
PNG
(CHEMBL3814445)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6OS/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 2.30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179516
PNG
(CHEMBL3815161)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6O2/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(30)24-5-6-29-7-9-31-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,30)(H,25,26,27)
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n/an/a 2.90n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179493
PNG
(CHEMBL3814694)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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n/an/a 3.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179505
PNG
(CHEMBL3814846)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)
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n/an/a 4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179499
PNG
(CHEMBL3814816)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1
Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 5.10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179497
PNG
(CHEMBL3814182)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N6OS/c22-17-3-1-15(12-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 9.10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
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n/an/a 12n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50179506
PNG
(CHEMBL3814021)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179515
PNG
(CHEMBL3814882)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)c1
Show InChI InChI=1S/C22H25BrN6O/c23-16-5-4-6-17(13-16)27-21-19-14-18(7-8-20(19)25-15-26-21)28-22(30)24-9-12-29-10-2-1-3-11-29/h4-8,13-15H,1-3,9-12H2,(H2,24,28,30)(H,25,26,27)
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n/an/a 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-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



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50132490
PNG
(CHEMBL3633928)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)
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n/an/a 27n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179509
PNG
(CHEMBL2031296)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)
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n/an/a 32n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50179505
PNG
(CHEMBL3814846)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)
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n/an/a 32n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50179496
PNG
(CHEMBL3813728)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)
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n/an/a 33n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179511
PNG
(CHEMBL3815074)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C18H14N4O/c1-3-13-5-4-6-14(9-13)22-18-16-10-15(21-12(2)23)7-8-17(16)19-11-20-18/h1,4-11H,2H3,(H,21,23)(H,19,20,22)
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n/an/a 39n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50179507
PNG
(CHEMBL3814940)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 41n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179509
PNG
(CHEMBL2031296)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)
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n/an/a 41n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179516
PNG
(CHEMBL3815161)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6O2/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(30)24-5-6-29-7-9-31-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,30)(H,25,26,27)
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n/an/a 53n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179517
PNG
(CHEMBL3814956)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6O/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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n/an/a 62n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179499
PNG
(CHEMBL3814816)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1
Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 65n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179499
PNG
(CHEMBL3814816)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1
Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 66n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179511
PNG
(CHEMBL3815074)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C18H14N4O/c1-3-13-5-4-6-14(9-13)22-18-16-10-15(21-12(2)23)7-8-17(16)19-11-20-18/h1,4-11H,2H3,(H,21,23)(H,19,20,22)
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n/an/a 68n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179494
PNG
(CHEMBL3815163)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 69n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179494
PNG
(CHEMBL3815163)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 76n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179517
PNG
(CHEMBL3814956)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6O/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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n/an/a 77n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179493
PNG
(CHEMBL3814694)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179516
PNG
(CHEMBL3815161)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6O2/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(30)24-5-6-29-7-9-31-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,30)(H,25,26,27)
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n/an/a 87n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
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 127n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179519
PNG
(CHEMBL3814445)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6OS/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179493
PNG
(CHEMBL3814694)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)
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n/an/a 154n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50132490
PNG
(CHEMBL3633928)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)
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n/an/a 186n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179510
PNG
(CHEMBL3814447)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C17H13N5O/c1-2-11-4-3-5-12(8-11)21-16-14-9-13(22-17(18)23)6-7-15(14)19-10-20-16/h1,3-10H,(H3,18,22,23)(H,19,20,21)
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n/an/a 194n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179520
PNG
(CHEMBL3815115)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H25BrN6OS/c23-16-3-1-4-17(13-16)27-21-19-14-18(5-6-20(19)25-15-26-21)28-22(31)24-7-2-8-29-9-11-30-12-10-29/h1,3-6,13-15H,2,7-12H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 247n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179518
PNG
(CHEMBL3814460)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O3/c29-24-16-22(5-7-26(24)39-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(37)31-8-9-36-10-12-38-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,37)(H,32,33,34)
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n/an/a 259n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179513
PNG
(CHEMBL3814257)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)
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n/an/a 264n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179496
PNG
(CHEMBL3813728)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)
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n/an/a 267n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179514
PNG
(CHEMBL3814320)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)
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n/an/a 269n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
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n/an/a 271n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
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n/an/a 273n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179507
PNG
(CHEMBL3814940)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 296n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179512
PNG
(CHEMBL3814211)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C15H11ClFN5O/c16-11-6-9(1-3-12(11)17)21-14-10-5-8(22-15(18)23)2-4-13(10)19-7-20-14/h1-7H,(H3,18,22,23)(H,19,20,21)
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n/an/a 315n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
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n/an/a 315n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179519
PNG
(CHEMBL3814445)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22ClFN6OS/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 316n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179496
PNG
(CHEMBL3813728)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)
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n/an/a 332n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179520
PNG
(CHEMBL3815115)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H25BrN6OS/c23-16-3-1-4-17(13-16)27-21-19-14-18(5-6-20(19)25-15-26-21)28-22(31)24-7-2-8-29-9-11-30-12-10-29/h1,3-6,13-15H,2,7-12H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 347n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179510
PNG
(CHEMBL3814447)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
Show InChI InChI=1S/C17H13N5O/c1-2-11-4-3-5-12(8-11)21-16-14-9-13(22-17(18)23)6-7-15(14)19-10-20-16/h1,3-10H,(H3,18,22,23)(H,19,20,21)
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n/an/a 364n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179513
PNG
(CHEMBL3814257)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)
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n/an/a 371n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179500
PNG
(CHEMBL3813876)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6OS/c23-18-13-16(2-4-19(18)24)28-21-17-12-15(3-5-20(17)26-14-27-21)29-22(32)25-6-1-7-30-8-10-31-11-9-30/h2-5,12-14H,1,6-11H2,(H2,25,29,32)(H,26,27,28)
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n/an/a 390n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179512
PNG
(CHEMBL3814211)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C15H11ClFN5O/c16-11-6-9(1-3-12(11)17)21-14-10-5-8(22-15(18)23)2-4-13(10)19-7-20-14/h1-7H,(H3,18,22,23)(H,19,20,21)
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n/an/a 401n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50132490
PNG
(CHEMBL3633928)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)
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n/an/a 407n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179505
PNG
(CHEMBL3814846)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)
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n/an/a 410n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
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n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179518
PNG
(CHEMBL3814460)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C28H28ClFN6O3/c29-24-16-22(5-7-26(24)39-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(37)31-8-9-36-10-12-38-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,37)(H,32,33,34)
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n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179507
PNG
(CHEMBL3814940)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)
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n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179506
PNG
(CHEMBL3814021)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)
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n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179506
PNG
(CHEMBL3814021)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)
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n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179500
PNG
(CHEMBL3813876)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H24ClFN6OS/c23-18-13-16(2-4-19(18)24)28-21-17-12-15(3-5-20(17)26-14-27-21)29-22(32)25-6-1-7-30-8-10-31-11-9-30/h2-5,12-14H,1,6-11H2,(H2,25,29,32)(H,26,27,28)
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n/an/a 513n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179497
PNG
(CHEMBL3814182)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N6OS/c22-17-3-1-15(12-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 653n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50179497
PNG
(CHEMBL3814182)
Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N6OS/c22-17-3-1-15(12-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)
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n/an/a 772n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179507
PNG
(CHEMBL3814940)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179506
PNG
(CHEMBL3814021)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179505
PNG
(CHEMBL3814846)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179505
PNG
(CHEMBL3814846)
Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)
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n/an/a 2.28E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179507
PNG
(CHEMBL3814940)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50179506
PNG
(CHEMBL3814021)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-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>1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-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>1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%