Found 65 hits for monomerid = 50383274 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET based Z'-lyte assay |
Eur J Med Chem 66: 82-90 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.026 BindingDB Entry DOI: 10.7270/Q27082Z6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) after 1.5 hr by FRET-based Z-lyte assay |
Eur J Med Chem 77: 75-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.032 BindingDB Entry DOI: 10.7270/Q2BZ67K5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Dortmund
Curated by ChEMBL
| Assay Description Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor... |
Bioorg Med Chem 23: 2767-80 (2015)
Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Dortmund
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m... |
Bioorg Med Chem 23: 2767-80 (2015)
Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Dortmund
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo... |
Bioorg Med Chem 23: 2767-80 (2015)
Article DOI: 10.1016/j.bmc.2015.04.038 BindingDB Entry DOI: 10.7270/Q2XG9STH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Binding affinity to JAK3 (unknown origin) |
J Med Chem 58: 6589-606 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00710 BindingDB Entry DOI: 10.7270/Q2833TSH |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-... |
J Med Chem 58: 6844-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01082 BindingDB Entry DOI: 10.7270/Q2WM1G59 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA |
Bioorg Med Chem 24: 2673-80 (2016)
Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA |
Bioorg Med Chem 24: 2673-80 (2016)
Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 9.58 | n/a | n/a | n/a | n/a | n/a | 25 |
East China University of Science and Technology
US Patent
| Assay Description In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased... |
US Patent US9670213 (2017)
BindingDB Entry DOI: 10.7270/Q23R0R1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | 25 |
East China University of Science and Technology
US Patent
| Assay Description In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased... |
US Patent US9670213 (2017)
BindingDB Entry DOI: 10.7270/Q23R0R1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 1.02 | n/a | n/a | n/a | n/a | n/a | 25 |
East China University of Science and Technology
US Patent
| Assay Description In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased... |
US Patent US9670213 (2017)
BindingDB Entry DOI: 10.7270/Q23R0R1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 6.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to EGFR |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Jiangsu Medolution Ltd
US Patent
| Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph... |
US Patent US10167264 (2019)
BindingDB Entry DOI: 10.7270/Q2CZ397P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [1-745,751-1210]
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Jiangsu Medolution Ltd
US Patent
| Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph... |
US Patent US10167264 (2019)
BindingDB Entry DOI: 10.7270/Q2CZ397P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls Universit£t T£bingen
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
J Med Chem 60: 4636-4656 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow... |
J Med Chem 60: 7725-7744 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human NCI-H460 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 9.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR E746_A750 deletion/T790M mutant in human growth-resistant PC9 cells assessed as reduction in cell viability after 72 hrs by MTT as... |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR E746_A750 deletion mutant in human PC9 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant phosphorylation in human NCI-H1975 cells after 1 hr by ELISA |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged wild-type EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using ... |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR phosphorylation in human A431 cells preincubated for 1 hr followed by EGF stimulation measured after 45 mins by ELISA |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Itd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged EGFR L858R/T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression syst... |
Bioorg Med Chem Lett 28: 1257-1261 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.009 BindingDB Entry DOI: 10.7270/Q2GB26Q2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow... |
J Med Chem 60: 7725-7744 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ... |
J Med Chem 60: 7725-7744 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility ... |
Eur J Med Chem 104: 115-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.031 BindingDB Entry DOI: 10.7270/Q2VQ35NB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1... |
Eur J Med Chem 104: 115-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.031 BindingDB Entry DOI: 10.7270/Q2VQ35NB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay |
J Med Chem 56: 7821-37 (2013)
Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay |
J Med Chem 56: 7821-37 (2013)
Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay |
J Med Chem 56: 7821-37 (2013)
Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay |
J Med Chem 56: 4738-48 (2013)
Article DOI: 10.1021/jm400463q BindingDB Entry DOI: 10.7270/Q2X351C8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T90M double mutant (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay |
J Med Chem 56: 4738-48 (2013)
Article DOI: 10.1021/jm400463q BindingDB Entry DOI: 10.7270/Q2X351C8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay |
J Med Chem 56: 4738-48 (2013)
Article DOI: 10.1021/jm400463q BindingDB Entry DOI: 10.7270/Q2X351C8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged human EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | n/a | 989 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as subs... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon19 deletion mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MT... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
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| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M exon19 deletion double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |