Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50000776
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50029668(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)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260360(CHEMBL4103912)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12
Show InChI InChI=1S/C28H32FN7O2/c1-7-27(37)31-22-15-23(26(38-6)16-25(22)35(4)13-12-34(2)3)33-28-30-11-10-21(32-28)20-17-36(5)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 4.90nMAssay Description:Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260363(CHEMBL4087538)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12
Show InChI InChI=1S/C28H32FN7O2/c1-7-26(37)31-22-15-23(25(38-6)16-24(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)19-17-36(5)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 6nMAssay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260359(CHEMBL4079658)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O3/c1-7-27(36)30-22-16-23(26(38-6)17-25(22)33(2)14-15-35(4,5)37)32-28-29-13-12-21(31-28)20-18-34(3)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260361(CHEMBL4066170)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12
Show InChI InChI=1S/C28H32FN7O3/c1-7-27(37)31-22-15-23(26(39-6)16-25(22)34(2)12-13-36(4,5)38)33-28-30-11-10-21(32-28)20-17-35(3)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 10nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260362(CHEMBL4072620)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12
Show InChI InChI=1S/C28H32FN7O3/c1-7-26(37)31-22-15-23(25(39-6)16-24(22)34(2)13-14-36(4,5)38)33-28-30-12-11-21(32-28)19-17-35(3)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 18nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260360(CHEMBL4103912)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12
Show InChI InChI=1S/C28H32FN7O2/c1-7-27(37)31-22-15-23(26(38-6)16-25(22)35(4)13-12-34(2)3)33-28-30-11-10-21(32-28)20-17-36(5)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 166nMAssay Description:Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260363(CHEMBL4087538)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12
Show InChI InChI=1S/C28H32FN7O2/c1-7-26(37)31-22-15-23(25(38-6)16-24(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)19-17-36(5)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 175nMAssay Description:Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50029668(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)
Affinity DataIC50: 225nMAssay Description:Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260359(CHEMBL4079658)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O3/c1-7-27(36)30-22-16-23(26(38-6)17-25(22)33(2)14-15-35(4,5)37)32-28-29-13-12-21(31-28)20-18-34(3)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
Affinity DataIC50: 318nMAssay Description:Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260361(CHEMBL4066170)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12
Show InChI InChI=1S/C28H32FN7O3/c1-7-27(37)31-22-15-23(26(39-6)16-25(22)34(2)12-13-36(4,5)38)33-28-30-11-10-21(32-28)20-17-35(3)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 357nMAssay Description:Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tsinghua University-Peking University Joint Center for Life Sciences

Curated by ChEMBL
LigandPNGBDBM50260362(CHEMBL4072620)
Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12
Show InChI InChI=1S/C28H32FN7O3/c1-7-26(37)31-22-15-23(25(39-6)16-24(22)34(2)13-14-36(4,5)38)33-28-30-12-11-21(32-28)19-17-35(3)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
Affinity DataIC50: 595nMAssay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair