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Compile Data Set for Download or QSAR

Found 11033 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)-Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.100n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.100n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
PDB

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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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0.300n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141902
PNG
(CHEMBL3758602)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1
PDB

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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(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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0.400n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141610
PNG
(CHEMBL3759096)
Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1
PDB

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<0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
PDB

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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141610
PNG
(CHEMBL3759096)
Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1
PDB

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<0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
PDB
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0.600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50141610
PNG
(CHEMBL3759096)
Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1
PDB
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141902
PNG
(CHEMBL3758602)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1
PDB

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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141902
PNG
(CHEMBL3758602)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1
PDB

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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50141902
PNG
(CHEMBL3758602)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1
PDB
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1.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50236369
PNG
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)
Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
PDB

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1.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141611
PNG
(CHEMBL3758739)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F
PDB

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1.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
PDB

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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141667
PNG
(CHEMBL3759499)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2cc(F)ccc12)-c1cn[nH]c1
PDB

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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141902
PNG
(CHEMBL3758602)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1
PDB

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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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2.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141611
PNG
(CHEMBL3758739)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F
PDB

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2.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50236369
PNG
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)
Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of erbB2


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141665
PNG
(CHEMBL3759615)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(F)cccc12)-c1cn[nH]c1
PDB

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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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3.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141611
PNG
(CHEMBL3758739)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F
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3.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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3.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50142028
PNG
(CHEMBL3758700)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)c(F)ccc12)-c1cn[nH]c1
PDB

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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50142036
PNG
(CHEMBL3759135)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cscn1
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5.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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6n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50141611
PNG
(CHEMBL3758739)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F
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6.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141668
PNG
(CHEMBL3758283)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccc(F)cc12)-c1cn[nH]c1
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8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221516
PNG
(6-methoxy-7-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C27H30N4O3/c1-32-25-15-22-23(16-26(25)34-11-5-8-31-9-12-33-13-10-31)29-18-20(17-28)27(22)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032623
PNG
(CHEMBL3354183)
Show SMILES C[C@@H](CO)Nc1nc(C)cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1
Show InChI InChI=1/C20H20Cl2N6O2/c1-11-8-17(28-20(24-11)25-12(2)10-29)27-16-9-13(6-7-23-16)26-19(30)18-14(21)4-3-5-15(18)22/h3-9,12,29H,10H2,1-2H3,(H3,23,24,25,26,27,28,30)/t12-/s2
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9n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141611
PNG
(CHEMBL3758739)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50142027
PNG
(CHEMBL3760072)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(F)cc(F)cc12)-c1cn[nH]c1
PDB

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10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032630
PNG
(CHEMBL3354191)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(nc(N)c3cn2)C(C)C)n1
Show InChI InChI=1S/C19H26N8O/c1-12(2)27-15-10-17(22-11-14(15)18(20)25-27)23-16-4-7-21-19(24-16)26-8-5-13(28-3)6-9-26/h4,7,10-13H,5-6,8-9H2,1-3H3,(H2,20,25)(H,21,22,23,24)
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12n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032612
PNG
(CHEMBL3352835)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1
Show InChI InChI=1S/C22H22Cl2N6O2/c1-32-15-7-11-30(12-8-15)22-26-10-6-18(29-22)28-19-13-14(5-9-25-19)27-21(31)20-16(23)3-2-4-17(20)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,25,26,27,28,29,31)
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14n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032625
PNG
(CHEMBL3354187)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(cc3cn2)-c2cn[nH]c2)n1
Show InChI InChI=1S/C23H28N8O/c1-15(2)31-19(17-13-26-27-14-17)10-16-12-25-22(11-20(16)31)28-21-4-7-24-23(29-21)30-8-5-18(32-3)6-9-30/h4,7,10-15,18H,5-6,8-9H2,1-3H3,(H,26,27)(H,24,25,28,29)
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16n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50142029
PNG
(CHEMBL3758862)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cc(F)cc12)-c1cn[nH]c1
PDB

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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141657
PNG
(CHEMBL3758958)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1c[nH]c2ccccc12)-c1cn[nH]c1
PDB

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17n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141669
PNG
(CHEMBL3759935)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2cccc(F)c12)-c1cn[nH]c1
PDB

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17n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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17n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50032631
PNG
(CHEMBL3354192)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3c(n[nH]c3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-12(2)18-14-10-17(21-11-15(14)24-25-18)22-16-4-7-20-19(23-16)26-8-5-13(27-3)6-9-26/h4,7,10-13H,5-6,8-9H2,1-3H3,(H,24,25)(H,20,21,22,23)
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18n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


Citation and Details
More data for this
Ligand-Target Pair
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