Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50008612
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

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: 1.20E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520826(CHEMBL4545086)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C27H32N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-23(20)34(4)14-13-33(2)3)32-27-29-12-10-19(31-27)18-17-35(5)22-9-8-11-28-26(18)22/h7-12,15-17H,1,13-14H2,2-6H3,(H,30,36)(H,29,31,32)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

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: 3.40E+3nMAssay Description:Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520826(CHEMBL4545086)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C27H32N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-23(20)34(4)14-13-33(2)3)32-27-29-12-10-19(31-27)18-17-35(5)22-9-8-11-28-26(18)22/h7-12,15-17H,1,13-14H2,2-6H3,(H,30,36)(H,29,31,32)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520827(CHEMBL4536146)
Show SMILES CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3cccnc23)cc1NC(=O)C=C
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-19-14-20(23(36-5)15-22(19)33(3)13-12-27-2)32-26-29-11-9-18(31-26)17-16-34(4)21-8-7-10-28-25(17)21/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520828(CHEMBL4575647)
Show SMILES COc1cc(NCCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-20-14-21(23(36-5)15-19(20)27-12-13-33(2)3)32-26-29-11-9-18(31-26)17-16-34(4)22-8-7-10-28-25(17)22/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520827(CHEMBL4536146)
Show SMILES CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3cccnc23)cc1NC(=O)C=C
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-19-14-20(23(36-5)15-22(19)33(3)13-12-27-2)32-26-29-11-9-18(31-26)17-16-34(4)21-8-7-10-28-25(17)21/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520828(CHEMBL4575647)
Show SMILES COc1cc(NCCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-20-14-21(23(36-5)15-19(20)27-12-13-33(2)3)32-26-29-11-9-18(31-26)17-16-34(4)22-8-7-10-28-25(17)22/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

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: 1.50E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate b...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520826(CHEMBL4545086)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C27H32N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-23(20)34(4)14-13-33(2)3)32-27-29-12-10-19(31-27)18-17-35(5)22-9-8-11-28-26(18)22/h7-12,15-17H,1,13-14H2,2-6H3,(H,30,36)(H,29,31,32)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520828(CHEMBL4575647)
Show SMILES COc1cc(NCCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccnc12
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-20-14-21(23(36-5)15-19(20)27-12-13-33(2)3)32-26-29-11-9-18(31-26)17-16-34(4)22-8-7-10-28-25(17)22/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 7.70E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Shuangliang Biotechnology Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50520827(CHEMBL4536146)
Show SMILES CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3cccnc23)cc1NC(=O)C=C
Show InChI InChI=1S/C26H30N8O2/c1-6-24(35)30-19-14-20(23(36-5)15-22(19)33(3)13-12-27-2)32-26-29-11-9-18(31-26)17-16-34(4)21-8-7-10-28-25(17)21/h6-11,14-16,27H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32)
Affinity DataIC50: 2.77E+5nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid