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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50047255   
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))
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 recombinant human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system by mass...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157905
PNG
(CHEMBL3781993)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccnc(N)n3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C21H24N8O2/c1-28-10-12-29(13-11-28)15-4-2-14(3-5-15)25-20(31)18-16(6-8-23-19(18)30)26-17-7-9-24-21(22)27-17/h2-9H,10-13H2,1H3,(H,25,31)(H4,22,23,24,26,27,30)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50157311
PNG
(CHEMBL3780090)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157908
PNG
(CHEMBL3779957)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-29-14-5-15-30(17-16-29)19-10-8-18(9-11-19)27-25(32)23-21(12-13-26-24(23)31)28-20-6-3-4-7-22(20)33-2/h3-4,6-13H,5,14-17H2,1-2H3,(H,27,32)(H2,26,28,31)
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12n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157909
PNG
(CHEMBL3781897)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C25H28N4O3/c1-29-15-12-18(13-16-29)17-7-9-19(10-8-17)27-25(31)23-21(11-14-26-24(23)30)28-20-5-3-4-6-22(20)32-2/h3-11,14,18H,12-13,15-16H2,1-2H3,(H,27,31)(H2,26,28,30)
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15n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157333
PNG
(CHEMBL3781433)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O3/c1-30-11-13-31(14-12-30)20-7-5-19(6-8-20)29-25(34)23-21(9-10-27-24(23)33)28-16-22(32)17-3-2-4-18(26)15-17/h2-10,15,22,32H,11-14,16H2,1H3,(H,29,34)(H2,27,28,33)/t22-/m1/s1
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157311
PNG
(CHEMBL3780090)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157309
PNG
(CHEMBL3780320)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1
Show InChI InChI=1S/C25H29N5O3/c1-17-16-18(8-9-21(17)30-14-12-29(2)13-15-30)27-25(32)23-20(10-11-26-24(23)31)28-19-6-4-5-7-22(19)33-3/h4-11,16H,12-15H2,1-3H3,(H,27,32)(H2,26,28,31)
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26n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157306
PNG
(CHEMBL3780509)
Show SMILES CCc1cc(NC(=O)c2c(Nc3ccccc3OC)cc[nH]c2=O)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H31N5O3/c1-4-18-17-19(9-10-22(18)31-15-13-30(2)14-16-31)28-26(33)24-21(11-12-27-25(24)32)29-20-7-5-6-8-23(20)34-3/h5-12,17H,4,13-16H2,1-3H3,(H,28,33)(H2,27,29,32)
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31n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50155801
PNG
(CHEMBL3780175)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H24N4O5S/c1-32-20-5-3-2-4-18(20)26-19-10-11-24-22(28)21(19)23(29)25-16-6-8-17(9-7-16)27-12-14-33(30,31)15-13-27/h2-11H,12-15H2,1H3,(H,25,29)(H2,24,26,28)
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37n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157358
PNG
(CHEMBL3780553)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccc(Cl)cc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32)
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37n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157324
PNG
(CHEMBL3780037)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O2/c1-30-13-15-31(16-14-30)21-7-5-20(6-8-21)29-25(33)23-22(10-12-28-24(23)32)27-11-9-18-3-2-4-19(26)17-18/h2-8,10,12,17H,9,11,13-16H2,1H3,(H,29,33)(H2,27,28,32)
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43n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157390
PNG
(CHEMBL3780109)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccccc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H29N5O2/c1-29-15-17-30(18-16-29)21-9-7-20(8-10-21)28-25(32)23-22(12-14-27-24(23)31)26-13-11-19-5-3-2-4-6-19/h2-10,12,14H,11,13,15-18H2,1H3,(H,28,32)(H2,26,27,31)
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49n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50155842
PNG
(CHEMBL3780563)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-29-13-15-30(16-14-29)17-18-7-9-19(10-8-18)27-25(32)23-21(11-12-26-24(23)31)28-20-5-3-4-6-22(20)33-2/h3-12H,13-17H2,1-2H3,(H,27,32)(H2,26,28,31)
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51n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157941
PNG
(CHEMBL3780841)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1-c1nc2c(cccc2[nH]1)C(C)C
Show InChI InChI=1S/C22H22N4O2/c1-13(2)14-7-6-9-17-20(14)26-21(25-17)19-16(11-12-23-22(19)27)24-15-8-4-5-10-18(15)28-3/h4-13H,1-3H3,(H,25,26)(H2,23,24,27)
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58n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157901
PNG
(CHEMBL3780073)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3C)cc[nH]c2=O)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17-5-3-4-6-20(17)27-21-11-12-25-23(30)22(21)24(31)26-18-7-9-19(10-8-18)29-15-13-28(2)14-16-29/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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61n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157333
PNG
(CHEMBL3781433)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O3/c1-30-11-13-31(14-12-30)20-7-5-19(6-8-20)29-25(34)23-21(9-10-27-24(23)33)28-16-22(32)17-3-2-4-18(26)15-17/h2-10,15,22,32H,11-14,16H2,1H3,(H,29,34)(H2,27,28,33)/t22-/m1/s1
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65n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157324
PNG
(CHEMBL3780037)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O2/c1-30-13-15-31(16-14-30)21-7-5-20(6-8-21)29-25(33)23-22(10-12-28-24(23)32)27-11-9-18-3-2-4-19(26)17-18/h2-8,10,12,17H,9,11,13-16H2,1H3,(H,29,33)(H2,27,28,32)
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66n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157307
PNG
(CHEMBL3781462)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30)
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78n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157364
PNG
(CHEMBL3780955)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3Cl)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)26-23(31)21-20(10-11-25-22(21)30)27-19-5-3-2-4-18(19)24/h2-11H,12-15H2,1H3,(H,26,31)(H2,25,27,30)
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82n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157305
PNG
(CHEMBL3780404)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1-c1nc2c(ccc(C)c2[nH]1)C(C)C
Show InChI InChI=1S/C23H24N4O2/c1-13(2)15-10-9-14(3)20-21(15)27-22(26-20)19-17(11-12-24-23(19)28)25-16-7-5-6-8-18(16)29-4/h5-13H,1-4H3,(H,26,27)(H2,24,25,28)
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88n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157904
PNG
(CHEMBL3781344)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncn3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C21H23N7O2/c1-27-10-12-28(13-11-27)16-4-2-15(3-5-16)25-21(30)19-17(6-9-23-20(19)29)26-18-7-8-22-14-24-18/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,22,23,24,26,29)
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95n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157903
PNG
(CHEMBL3781988)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccn3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C22H24N6O2/c1-27-12-14-28(15-13-27)17-7-5-16(6-8-17)25-22(30)20-18(9-11-24-21(20)29)26-19-4-2-3-10-23-19/h2-11H,12-15H2,1H3,(H,25,30)(H2,23,24,26,29)
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108n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157390
PNG
(CHEMBL3780109)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccccc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H29N5O2/c1-29-15-17-30(18-16-29)21-9-7-20(8-10-21)28-25(32)23-22(12-14-27-24(23)31)26-13-11-19-5-3-2-4-6-19/h2-10,12,14H,11,13,15-18H2,1H3,(H,28,32)(H2,26,27,31)
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117n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
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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136n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR T790M/L858R double mutant by mass spectrometric analysis


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157422
PNG
(CHEMBL3780484)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H25N5O2/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)26-23(30)21-20(11-12-24-22(21)29)25-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,26,30)(H2,24,25,29)
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144n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157906
PNG
(CHEMBL3781676)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncc3N)cc[nH]c2=O)cc1
Show InChI InChI=1S/C22H25N7O2/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)26-22(31)20-19(7-9-25-21(20)30)27-18-6-8-24-14-17(18)23/h2-9,14H,10-13,23H2,1H3,(H,26,31)(H2,24,25,27,30)
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145n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157385
PNG
(CHEMBL3781439)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-11-13-29(14-12-28)19-7-5-17(6-8-19)27-23(31)21-20(9-10-25-22(21)30)26-18-4-2-3-16(24)15-18/h2-10,15H,11-14H2,1H3,(H,27,31)(H2,25,26,30)
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155n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50157311
PNG
(CHEMBL3780090)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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172n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157358
PNG
(CHEMBL3780553)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccc(Cl)cc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32)
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262n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157940
PNG
(CHEMBL3781817)
Show SMILES CN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C22H23ClN4O2/c1-27(2)18-8-6-17(7-9-18)26-22(29)20-19(11-13-25-21(20)28)24-12-10-15-4-3-5-16(23)14-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,29)(H2,24,25,28)
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290n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157939
PNG
(CHEMBL3780006)
Show SMILES Clc1cccc(CCNc2cc[nH]c(=O)c2C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C20H18ClN3O2/c21-15-6-4-5-14(13-15)9-11-22-17-10-12-23-19(25)18(17)20(26)24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,24,26)(H2,22,23,25)
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330n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157426
PNG
(CHEMBL3780635)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(N)cc[nH]c2=O)cc1
Show InChI InChI=1S/C17H21N5O2/c1-21-8-10-22(11-9-21)13-4-2-12(3-5-13)20-17(24)15-14(18)6-7-19-16(15)23/h2-7H,8-11H2,1H3,(H,20,24)(H3,18,19,23)
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346n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157416
PNG
(CHEMBL3780709)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCc3ccccc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C24H27N5O2/c1-28-13-15-29(16-14-28)20-9-7-19(8-10-20)27-24(31)22-21(11-12-25-23(22)30)26-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,27,31)(H2,25,26,30)
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349n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157416
PNG
(CHEMBL3780709)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCc3ccccc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C24H27N5O2/c1-28-13-15-29(16-14-28)20-9-7-19(8-10-20)27-24(31)22-21(11-12-25-23(22)30)26-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,27,31)(H2,25,26,30)
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350n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50155802
PNG
(CHEMBL3781805)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCC(C)CC1
Show InChI InChI=1S/C25H28N4O3/c1-17-12-15-29(16-13-17)19-9-7-18(8-10-19)27-25(31)23-21(11-14-26-24(23)30)28-20-5-3-4-6-22(20)32-2/h3-11,14,17H,12-13,15-16H2,1-2H3,(H,27,31)(H2,26,28,30)
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625n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157310
PNG
(CHEMBL3781338)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccc(Cl)cc3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-12-14-29(15-13-28)19-8-6-18(7-9-19)27-23(31)21-20(10-11-25-22(21)30)26-17-4-2-16(24)3-5-17/h2-11H,12-15H2,1H3,(H,27,31)(H2,25,26,30)
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629n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157909
PNG
(CHEMBL3781897)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C25H28N4O3/c1-29-15-12-18(13-16-29)17-7-9-19(10-8-17)27-25(31)23-21(11-14-26-24(23)30)28-20-5-3-4-6-22(20)32-2/h3-11,14,18H,12-13,15-16H2,1-2H3,(H,27,31)(H2,26,28,30)
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634n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157907
PNG
(CHEMBL3781934)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(N)=O
Show InChI InChI=1S/C13H13N3O3/c1-19-10-5-3-2-4-8(10)16-9-6-7-15-13(18)11(9)12(14)17/h2-7H,1H3,(H2,14,17)(H2,15,16,18)
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>688n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157908
PNG
(CHEMBL3779957)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-29-14-5-15-30(17-16-29)19-10-8-18(9-11-19)27-25(32)23-21(12-13-26-24(23)31)28-20-6-3-4-7-22(20)33-2/h3-4,6-13H,5,14-17H2,1-2H3,(H,27,32)(H2,26,28,31)
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705n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157940
PNG
(CHEMBL3781817)
Show SMILES CN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C22H23ClN4O2/c1-27(2)18-8-6-17(7-9-18)26-22(29)20-19(11-13-25-21(20)28)24-12-10-15-4-3-5-16(23)14-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,29)(H2,24,25,28)
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757n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157905
PNG
(CHEMBL3781993)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccnc(N)n3)cc[nH]c2=O)cc1
Show InChI InChI=1S/C21H24N8O2/c1-28-10-12-29(13-11-28)15-4-2-14(3-5-15)25-20(31)18-16(6-8-23-19(18)30)26-17-7-9-24-21(22)27-17/h2-9H,10-13H2,1H3,(H,25,31)(H4,22,23,24,26,27,30)
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850n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157311
PNG
(CHEMBL3780090)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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1.09E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50155842
PNG
(CHEMBL3780563)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-29-13-15-30(16-14-29)17-18-7-9-19(10-8-18)27-25(32)23-21(11-12-26-24(23)31)28-20-5-3-4-6-22(20)33-2/h3-12H,13-17H2,1-2H3,(H,27,32)(H2,26,28,31)
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1.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157939
PNG
(CHEMBL3780006)
Show SMILES Clc1cccc(CCNc2cc[nH]c(=O)c2C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C20H18ClN3O2/c21-15-6-4-5-14(13-15)9-11-22-17-10-12-23-19(25)18(17)20(26)24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,24,26)(H2,22,23,25)
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1.21E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157906
PNG
(CHEMBL3781676)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncc3N)cc[nH]c2=O)cc1
Show InChI InChI=1S/C22H25N7O2/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)26-22(31)20-19(7-9-25-21(20)30)27-18-6-8-24-14-17(18)23/h2-9,14H,10-13,23H2,1H3,(H,26,31)(H2,24,25,27,30)
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>1.23E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50155801
PNG
(CHEMBL3780175)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H24N4O5S/c1-32-20-5-3-2-4-18(20)26-19-10-11-24-22(28)21(19)23(29)25-16-6-8-17(9-7-16)27-12-14-33(30,31)15-13-27/h2-11H,12-15H2,1H3,(H,25,29)(H2,24,26,28)
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>1.30E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50157364
PNG
(CHEMBL3780955)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3Cl)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)26-23(31)21-20(10-11-25-22(21)30)27-19-5-3-2-4-18(19)24/h2-11H,12-15H2,1H3,(H,26,31)(H2,25,27,30)
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1.48E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157902
PNG
(CHEMBL3780887)
Show SMILES COc1ccccc1N(C)c1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-28-14-16-30(17-15-28)19-10-8-18(9-11-19)27-25(32)23-21(12-13-26-24(23)31)29(2)20-6-4-5-7-22(20)33-3/h4-13H,14-17H2,1-3H3,(H,26,31)(H,27,32)
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>2.06E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50157308
PNG
(CHEMBL3780156)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cn1)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)16-7-8-20(25-15-16)27-23(31)21-18(9-10-24-22(21)30)26-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H2,24,26,30)(H,25,27,31)
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>2.06E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
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