Found 14 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50453891' 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)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) |
J Med Chem 61: 4290-4300 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB
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antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00073 BindingDB Entry DOI: 10.7270/Q2028WJ8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112995 BindingDB Entry DOI: 10.7270/Q2DN494X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876 BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 insect cells by HTRF assay |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in bacu... |
J Med Chem 62: 7302-7308 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00576 BindingDB Entry DOI: 10.7270/Q2T72MVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISA |
J Med Chem 62: 7302-7308 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00576 BindingDB Entry DOI: 10.7270/Q2T72MVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112995 BindingDB Entry DOI: 10.7270/Q2DN494X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848 BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876 BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |