Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50047427 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)) | BDBM50166941
(CHEMBL3797606)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N6O3S/c1-5-24(33)28-18-7-6-8-20(15-18)35-25-23(36-4)17-27-26(30-25)29-21-10-9-19(16-22(21)34-3)32-13-11-31(2)12-14-32/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30) | PDB
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| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 0.400 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166942
(CHEMBL3798501)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H30N6O4S/c1-5-25(35)29-19-7-6-8-21(15-19)37-26-24(38-4)17-28-27(31-26)30-22-10-9-20(16-23(22)36-3)33-13-11-32(12-14-33)18(2)34/h5-10,15-17H,1,11-14H2,2-4H3,(H,29,35)(H,28,30,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166944
(CHEMBL3799864)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C28H32N6O4S/c1-5-26(36)30-20-8-6-9-22(16-20)38-27-25(39-4)18-29-28(32-27)31-23-11-10-21(17-24(23)37-3)34-13-7-12-33(14-15-34)19(2)35/h5-6,8-11,16-18H,1,7,12-15H2,2-4H3,(H,30,36)(H,29,31,32) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.80 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166949
(CHEMBL3798128)Show SMILES CSc1cnc(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)nc1Oc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C27H28F2N6O4S/c1-4-24(37)31-18-6-5-7-20(14-18)38-25-23(40-3)16-30-27(33-25)32-21-9-8-19(15-22(21)39-26(28)29)35-12-10-34(11-13-35)17(2)36/h4-9,14-16,26H,1,10-13H2,2-3H3,(H,31,37)(H,30,32,33) | PDB
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| Article
PubMed
| n/a | n/a | 2.80 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166945
(CHEMBL3798887)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C29H34N6O4S/c1-6-26(36)31-20-8-7-9-22(16-20)39-27-25(40-5)18-30-29(33-27)32-23-11-10-21(17-24(23)38-4)34-12-14-35(15-13-34)28(37)19(2)3/h6-11,16-19H,1,12-15H2,2-5H3,(H,31,36)(H,30,32,33) | PDB
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| Article
PubMed
| n/a | n/a | 3.60 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166950
(CHEMBL3799428)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(SC)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC(F)F)c1 Show InChI InChI=1S/C28H30F2N6O4S/c1-4-24(37)32-18-7-6-8-20(15-18)39-26-23(41-3)17-31-28(34-26)33-21-10-9-19(16-22(21)40-27(29)30)35-11-13-36(14-12-35)25(38)5-2/h4,6-10,15-17,27H,1,5,11-14H2,2-3H3,(H,32,37)(H,31,33,34) | PDB
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| Article
PubMed
| n/a | n/a | 3.70 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166948
(CHEMBL3799255)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N6O4S/c1-4-23(37)32-17-6-5-7-19(14-17)40-24-22(41-3)16-31-26(34-24)33-20-9-8-18(15-21(20)39-2)35-10-12-36(13-11-35)25(38)27(28,29)30/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,37)(H,31,33,34) | PDB
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| Article
PubMed
| n/a | n/a | 4.40 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166946
(CHEMBL3800597)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(SC)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C28H32N6O4S/c1-5-25(35)30-19-8-7-9-21(16-19)38-27-24(39-4)18-29-28(32-27)31-22-11-10-20(17-23(22)37-3)33-12-14-34(15-13-33)26(36)6-2/h5,7-11,16-18H,1,6,12-15H2,2-4H3,(H,30,35)(H,29,31,32) | PDB
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| Article
PubMed
| n/a | n/a | 5.80 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM149410
(US10434101, Compound I-10 | US11096942, Compound I...)Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H27F3N6O4/c1-4-24(38)32-18-6-5-7-20(14-18)40-25-21(27(28,29)30)16-31-26(34-25)33-22-9-8-19(15-23(22)39-3)36-12-10-35(11-13-36)17(2)37/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,38)(H,31,33,34) | PDB
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| n/a | n/a | 7.10 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166943
(CHEMBL3797963)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H30N6O5S2/c1-5-24(33)28-18-7-6-8-20(15-18)37-25-23(38-3)17-27-26(30-25)29-21-10-9-19(16-22(21)36-2)31-11-13-32(14-12-31)39(4,34)35/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 7.30 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166947
(CHEMBL3799138)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(C)(C)C Show InChI InChI=1S/C30H36N6O4S/c1-7-26(37)32-20-9-8-10-22(17-20)40-27-25(41-6)19-31-29(34-27)33-23-12-11-21(18-24(23)39-5)35-13-15-36(16-14-35)28(38)30(2,3)4/h7-12,17-19H,1,13-16H2,2-6H3,(H,32,37)(H,31,33,34) | PDB
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| Article
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| n/a | n/a | 9.60 | 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 | |
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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Article
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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)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| n/a | n/a | 11 | 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
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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)) | BDBM50166949
(CHEMBL3798128)Show SMILES CSc1cnc(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)nc1Oc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C27H28F2N6O4S/c1-4-24(37)31-18-6-5-7-20(14-18)38-25-23(40-3)16-30-27(33-25)32-21-9-8-19(15-22(21)39-26(28)29)35-12-10-34(11-13-35)17(2)36/h4-9,14-16,26H,1,10-13H2,2-3H3,(H,31,37)(H,30,32,33) | PDB
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| n/a | n/a | 39 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166950
(CHEMBL3799428)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(SC)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC(F)F)c1 Show InChI InChI=1S/C28H30F2N6O4S/c1-4-24(37)32-18-7-6-8-20(15-18)39-26-23(41-3)17-31-28(34-26)33-21-10-9-19(16-22(21)40-27(29)30)35-11-13-36(14-12-35)25(38)5-2/h4,6-10,15-17,27H,1,5,11-14H2,2-3H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | 46 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166942
(CHEMBL3798501)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H30N6O4S/c1-5-25(35)29-19-7-6-8-21(15-19)37-26-24(38-4)17-28-27(31-26)30-22-10-9-20(16-23(22)36-3)33-13-11-32(12-14-33)18(2)34/h5-10,15-17H,1,11-14H2,2-4H3,(H,29,35)(H,28,30,31) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 88 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166946
(CHEMBL3800597)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(SC)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C28H32N6O4S/c1-5-25(35)30-19-8-7-9-21(16-19)38-27-24(39-4)18-29-28(32-27)31-22-11-10-20(17-23(22)37-3)33-12-14-34(15-13-33)26(36)6-2/h5,7-11,16-18H,1,6,12-15H2,2-4H3,(H,30,35)(H,29,31,32) | PDB
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PubMed
| n/a | n/a | 154 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166945
(CHEMBL3798887)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C29H34N6O4S/c1-6-26(36)31-20-8-7-9-22(16-20)39-27-25(40-5)18-30-29(33-27)32-23-11-10-21(17-24(23)38-4)34-12-14-35(15-13-34)28(37)19(2)3/h6-11,16-19H,1,12-15H2,2-5H3,(H,31,36)(H,30,32,33) | PDB
MMDB
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| CHEMBL
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 174 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM149410
(US10434101, Compound I-10 | US11096942, Compound I...)Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H27F3N6O4/c1-4-24(38)32-18-6-5-7-20(14-18)40-25-21(27(28,29)30)16-31-26(34-25)33-22-9-8-19(15-23(22)39-3)36-12-10-35(11-13-36)17(2)37/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,38)(H,31,33,34) | PDB
MMDB
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UniProtKB/SwissProt
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PubMed
| n/a | n/a | 200 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166948
(CHEMBL3799255)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N6O4S/c1-4-23(37)32-17-6-5-7-19(14-17)40-24-22(41-3)16-31-26(34-24)33-20-9-8-18(15-21(20)39-2)35-10-12-36(13-11-35)25(38)27(28,29)30/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,37)(H,31,33,34) | PDB
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PubMed
| n/a | n/a | 248 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166941
(CHEMBL3797606)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N6O3S/c1-5-24(33)28-18-7-6-8-20(15-18)35-25-23(36-4)17-27-26(30-25)29-21-10-9-19(16-22(21)34-3)32-13-11-31(2)12-14-32/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 272 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166944
(CHEMBL3799864)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C28H32N6O4S/c1-5-26(36)30-20-8-6-9-22(16-20)38-27-25(39-4)18-29-28(32-27)31-23-11-10-21(17-24(23)37-3)34-13-7-12-33(14-15-34)19(2)35/h5-6,8-11,16-18H,1,7,12-15H2,2-4H3,(H,30,36)(H,29,31,32) | PDB
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PubMed
| n/a | n/a | 389 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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PC cid
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 409 | 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)) | BDBM50166947
(CHEMBL3799138)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(C)(C)C Show InChI InChI=1S/C30H36N6O4S/c1-7-26(37)32-20-9-8-10-22(17-20)40-27-25(41-6)19-31-29(34-27)33-23-12-11-21(18-24(23)39-5)35-13-15-36(16-14-35)28(38)30(2,3)4/h7-12,17-19H,1,13-16H2,2-6H3,(H,32,37)(H,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 410 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50166943
(CHEMBL3797963)Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H30N6O5S2/c1-5-24(33)28-18-7-6-8-20(15-18)37-25-23(38-3)17-27-26(30-25)29-21-10-9-19(16-22(21)36-2)31-11-13-32(14-12-31)39(4,34)35/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30) | PDB
MMDB
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UniProtKB/SwissProt
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PC cid
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UniChem
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PubMed
| n/a | n/a | 731 | 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 | |
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