Found 178 hits Enz. Inhib. hit(s) with all data for entry = 50001971 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)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R mutant (unknown origin) |
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)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB MMDB
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
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)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
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)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB MMDB
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) |
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)) | 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 MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) |
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)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 12 | 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)) | 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 MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR exon 19 deletion mutant (unknown origin) |
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)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
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)) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | 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 | |
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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Similars
| PDB Article PubMed
| 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)) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451309
(CHEMBL4215496)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+ | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | 260 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451309
(CHEMBL4215496)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+ | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | 390 | 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 | |
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 MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 494 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
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)) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 520 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451291
(CHEMBL4208712)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 650 | 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 730 | 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 | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451285
(CHEMBL4214040)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 860 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451298
(CHEMBL4211573)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 940 | 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451291
(CHEMBL4208712)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.01E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451285
(CHEMBL4214040)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.06E+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 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451292
(CHEMBL4202413)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-13-15-38(16-14-37)24-11-12-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-10-6-9-23(17-25)34-29(39)21-41-20-22-7-4-3-5-8-22/h3-12,17-19H,13-16,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.07E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.09E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.12E+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 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)) | BDBM50451289
(CHEMBL4216784)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)15-7-8-18(20(13-15)30-2)26-22-25-14-16(23)21(27-22)31-19-6-4-3-5-17(19)24/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.16E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.18E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.23E+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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.33E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451309
(CHEMBL4215496)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.37E+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) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.39E+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 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)) | BDBM50451293
(CHEMBL4204937)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.41E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.43E+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) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.45E+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) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.48E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+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 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)) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.59E+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 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.67E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451289
(CHEMBL4216784)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)15-7-8-18(20(13-15)30-2)26-22-25-14-16(23)21(27-22)31-19-6-4-3-5-17(19)24/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+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 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451287
(CHEMBL4204596)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=C=S)n1)N1CCN(C)CC1 Show InChI InChI=1S/C23H23ClN6O2S/c1-29-9-11-30(12-10-29)16-7-8-19(21(13-16)31-2)27-23-25-14-17(24)22(28-23)32-20-6-4-3-5-18(20)26-15-33/h3-8,13-14H,9-12H2,1-2H3,(H,25,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.82E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451300
(CHEMBL4210744)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+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) | BDBM50451300
(CHEMBL4210744)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.96E+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 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)) | BDBM50451310
(CHEMBL4218320)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H19N3O/c1-2-7-16(8-3-1)15-21-12-14-24-22-20-17-9-4-5-10-18(17)23-13-6-11-19(20)23/h1-11,13,21H,12,14-15H2/b22-20+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.98E+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 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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.01E+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 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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.07E+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) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.07E+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) | BDBM50451296
(CHEMBL4203804)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-4-7-19(8-5-17)34-23-20(25)15-26-24(29-23)28-21-9-6-18(14-22(21)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.08E+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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50451293
(CHEMBL4204937)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.08E+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 | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451298
(CHEMBL4211573)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.11E+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 | |