Found 159 hits with Last Name = 'hemkens' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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MCE
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Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159358
(CHEMBL3787386)Show SMILES Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C20H14ClFN4O2/c1-3-7-28-18-10-16-13(9-17(18)26-19(27)4-2)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h1,4-6,8-11H,2,7H2,(H,26,27)(H,23,24,25) | PDB
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| Article
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450885
(CHEMBL4216749)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3F)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H23FN8O2/c1-4-18(32)27-16-6-5-7-17(19(16)23)33-21-15-8-9-24-20(15)28-22(29-21)26-14-12-25-31(13-14)11-10-30(2)3/h4-9,12-13H,1,10-11H2,2-3H3,(H,27,32)(H2,24,26,28,29) | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112173
(CHEMBL3608429)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159347
(CHEMBL3787662 | US9586965, Cpd 1)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31) | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159352
(CHEMBL3786802)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3C(F)(F)F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C19H19ClF3N7O2/c1-3-14(31)30-6-10(12(8-30)19(21,22)23)9-32-17-15-13(20)5-24-16(15)27-18(28-17)26-11-4-25-29(2)7-11/h3-5,7,10,12H,1,6,8-9H2,2H3,(H2,24,26,27,28)/t10-,12+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159349
(CHEMBL3786962)Show SMILES Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h3-11H,1H2,2H3,(H,22,27)(H2,20,23,24,25) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159353
(CHEMBL3787220)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H19ClFN7O2/c1-3-14(28)27-6-10(13(20)8-27)9-29-17-15-12(19)5-21-16(15)24-18(25-17)23-11-4-22-26(2)7-11/h3-5,7,10,13H,1,6,8-9H2,2H3,(H2,21,23,24,25)/t10-,13+/m1/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450887
(CHEMBL4211367)Show SMILES Cn1cc(Nc2nc(N[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H18ClFN8O/c1-3-13(28)27-7-11(19)12(8-27)23-16-14-10(18)5-20-15(14)24-17(25-16)22-9-4-21-26(2)6-9/h3-6,11-12H,1,7-8H2,2H3,(H3,20,22,23,24,25)/t11-,12-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450884
(CHEMBL4211782)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H24N8O2/c1-4-19(31)25-15-6-5-7-17(12-15)32-21-18-8-9-23-20(18)27-22(28-21)26-16-13-24-30(14-16)11-10-29(2)3/h4-9,12-14H,1,10-11H2,2-3H3,(H,25,31)(H2,23,26,27,28) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159356
(CHEMBL3786523)Show SMILES COC[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C20H24ClN7O3/c1-4-16(29)28-7-12(10-30-3)13(8-28)11-31-19-17-15(21)6-22-18(17)25-20(26-19)24-14-5-23-27(2)9-14/h4-6,9,12-13H,1,7-8,10-11H2,2-3H3,(H2,22,24,25,26)/t12-,13-/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159360
(CHEMBL3786098)Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450886
(CHEMBL4206481)Show SMILES Cn1cc(Nc2nc(N[C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H19ClN8O/c1-3-13(27)26-5-4-10(9-26)21-16-14-12(18)7-19-15(14)23-17(24-16)22-11-6-20-25(2)8-11/h3,6-8,10H,1,4-5,9H2,2H3,(H3,19,21,22,23,24)/t10-/m1/s1 | PDB
MMDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450871
(CHEMBL4205392)Show SMILES CCn1cnc2c(Nc3cn(C)nc3OC)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O2/c1-5-14(30)22-12-9-29(7-11(12)20)19-24-16(15-17(25-19)28(6-2)10-21-15)23-13-8-27(3)26-18(13)31-4/h5,8,10-12H,1,6-7,9H2,2-4H3,(H,22,30)(H,23,24,25)/t11-,12-/m1/s1 | PDB
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| PC cid
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| Article
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450868
(CHEMBL4216679)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h6,8,10-13H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159351
(CHEMBL3786858)Show SMILES Cn1cc(Nc2nc(OC[C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H20ClN7O2/c1-3-14(27)26-5-4-11(8-26)10-28-17-15-13(19)7-20-16(15)23-18(24-17)22-12-6-21-25(2)9-12/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H2,20,22,23,24)/t11-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159354
(CHEMBL3786220)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3O)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H20ClN7O3/c1-3-14(28)26-6-10(13(27)8-26)9-29-17-15-12(19)5-20-16(15)23-18(24-17)22-11-4-21-25(2)7-11/h3-5,7,10,13,27H,1,6,8-9H2,2H3,(H2,20,22,23,24)/t10-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450875
(CHEMBL4208811)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(nc12)N1CC[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)28-20-10-11-34(16-20)26-30-24(23-25(31-26)35(17-27-23)18(2)3)29-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H,28,36)(H,29,30,31)/t20-/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159359
(CHEMBL3786812)Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(CCC#C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C22H24ClN7O3/c1-4-6-7-30-11-15(8-25-30)26-22-27-20-19(16(23)9-24-20)21(28-22)33-13-14-10-29(18(31)5-2)12-17(14)32-3/h1,5,8-9,11,14,17H,2,6-7,10,12-13H2,3H3,(H2,24,26,27,28)/t14-,17+/m1/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450870
(Mavelertinib | PF-06747775)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159348
(CHEMBL3786453)Show SMILES Cn1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)n1 Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)21-12-5-4-6-13(11-12)28-18-14-7-9-20-17(14)23-19(24-18)22-15-8-10-26(2)25-15/h3-11H,1H2,2H3,(H,21,27)(H2,20,22,23,24,25) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159355
(CHEMBL3786647)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3CO)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C19H22ClN7O3/c1-3-15(29)27-6-11(9-28)12(7-27)10-30-18-16-14(20)5-21-17(16)24-19(25-18)23-13-4-22-26(2)8-13/h3-5,8,11-12,28H,1,6-7,9-10H2,2H3,(H2,21,23,24,25)/t11-,12-/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112176
(CHEMBL3608432)Show SMILES CC(C)n1cnc2c(Nc3cn(C)nc3C)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O/c1-6-16(31)23-15-9-29(7-13(15)21)20-25-18(24-14-8-28(5)27-12(14)4)17-19(26-20)30(10-22-17)11(2)3/h6,8,10-11,13,15H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t13-,15-/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450866
(CHEMBL4208829)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C21H28FN9O2/c1-7-15(32)24-13-10-30(8-12(13)22)20-26-17(25-14-9-29(5)28-19(14)33-6)16-18(27-20)31(11-23-16)21(2,3)4/h7,9,11-13H,1,8,10H2,2-6H3,(H,24,32)(H,25,26,27)/t12-,13-/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450869
(CHEMBL4218154)Show SMILES CCc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C21H28FN9O/c1-6-14-16(9-29(5)28-14)25-19-18-20(31(11-23-18)12(3)4)27-21(26-19)30-8-13(22)15(10-30)24-17(32)7-2/h7,9,11-13,15H,2,6,8,10H2,1,3-5H3,(H,24,32)(H,25,26,27)/t13-,15-/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450873
(CHEMBL4206312)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)34-11-10-20(16-34)29-26-30-24(23-25(31-26)35(17-27-23)18(2)3)28-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H2,28,29,30,31)/t20-/m1/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159357
(CHEMBL3787132)Show SMILES CO[C@@H]1CN(C[C@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159350
(CHEMBL3785393)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3C(F)(F)F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r| Show InChI InChI=1S/C19H20F3N7O2/c1-3-15(30)29-7-11(14(9-29)19(20,21)22)10-31-17-13-4-5-23-16(13)26-18(27-17)25-12-6-24-28(2)8-12/h3-6,8,11,14H,1,7,9-10H2,2H3,(H2,23,25,26,27)/t11-,14+/m1/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450865
(CHEMBL4212326)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1CC[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H25N9O/c1-5-15(29)22-13-6-7-27(10-13)19-24-17(23-14-8-21-26(4)9-14)16-18(25-19)28(11-20-16)12(2)3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,22,29)(H,23,24,25)/t13-/m0/s1 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450889
(CHEMBL4204498)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(N[C@H]3CN(C[C@@H]3F)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)28-8-13(20)14(9-28)24-19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H2,23,24,25,26)/t13-,14-/m0/s1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450879
(CHEMBL4207951)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(Nc2cnn(C)c2)c2ncn(C(C)C)c2n1)C(=O)C=C |r| Show InChI InChI=1S/C21H27N9O/c1-5-17(31)28-7-14-9-29(10-15(14)8-28)21-25-19(24-16-6-23-27(4)11-16)18-20(26-21)30(12-22-18)13(2)3/h5-6,11-15H,1,7-10H2,2-4H3,(H,24,25,26)/t14-,15+ | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450888
(CHEMBL4209368)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C19H25N9O/c1-5-15(29)27-7-6-13(10-27)23-19-24-17(22-14-8-21-26(4)9-14)16-18(25-19)28(11-20-16)12(2)3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H2,22,23,24,25)/t13-/m1/s1 | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450880
(CHEMBL4204566)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@H](F)[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m0/s1 | PDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450882
(CHEMBL4207425)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(nc12)N1CC[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)28-20-10-11-34(16-20)26-30-24(23-25(31-26)35(17-27-23)18(2)3)29-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H,28,36)(H,29,30,31)/t20-/m1/s1 | PDB
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| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450890
(CHEMBL4206604)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@H]3CCN(C3)C(C)=O)nc12 |r| Show InChI InChI=1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1 | PDB
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| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450874
(CHEMBL4213741)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)34-11-10-20(16-34)29-26-30-24(23-25(31-26)35(17-27-23)18(2)3)28-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H2,28,29,30,31)/t20-/m0/s1 | PDB
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| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450883
(CHEMBL4203072)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1CC[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H25N9O/c1-5-15(29)22-13-6-7-27(10-13)19-24-17(23-14-8-21-26(4)9-14)16-18(25-19)28(11-20-16)12(2)3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,22,29)(H,23,24,25)/t13-/m1/s1 | PDB
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| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159361
(CHEMBL3787327)Show SMILES Cn1cc(Nc2nc(OC[C@@H]3CCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H21N7O2/c1-3-15(26)25-7-5-12(9-25)11-27-17-14-4-6-19-16(14)22-18(23-17)21-13-8-20-24(2)10-13/h3-4,6,8,10,12H,1,5,7,9,11H2,2H3,(H2,19,21,22,23)/t12-/m1/s1 | PDB
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| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159360
(CHEMBL3786098)Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Reversible binding affinity to human wild type EGFR expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159347
(CHEMBL3787662 | US9586965, Cpd 1)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31) | PDB
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| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50210162
(CHEMBL3883534)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion mutant phosphorylation in human PC9 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandw... |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-3
(Homo sapiens (Human)) | BDBM50210162
(CHEMBL3883534)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450868
(CHEMBL4216679)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h6,8,10-13H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DRH cells preincubated for 2 hrs followed by EGF stimulation for 10 min... |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159349
(CHEMBL3786962)Show SMILES Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h3-11H,1H2,2H3,(H,22,27)(H2,20,23,24,25) | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-3
(Homo sapiens (Human)) | BDBM50450868
(CHEMBL4216679)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h6,8,10-13H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112173
(CHEMBL3608429)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DRH cells preincubated for 2 hrs followed by EGF stimulation for 10 min... |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450868
(CHEMBL4216679)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h6,8,10-13H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion mutant phosphorylation in human PC9 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandw... |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-3
(Homo sapiens (Human)) | BDBM50112173
(CHEMBL3608429)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells after 2 hrs by sandwich ELISA |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450869
(CHEMBL4218154)Show SMILES CCc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C21H28FN9O/c1-6-14-16(9-29(5)28-14)25-19-18-20(31(11-23-18)12(3)4)27-21(26-19)30-8-13(22)15(10-30)24-17(32)7-2/h7,9,11-13,15H,2,6,8,10H2,1,3-5H3,(H,24,32)(H,25,26,27)/t13-,15-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DRH cells preincubated for 2 hrs followed by EGF stimulation for 10 min... |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
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