Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50002651   

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
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461172 (CHEMBL4228518) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461174 (CHEMBL4226676) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461178 (CHEMBL4225777) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-31(2)14-17-34-21-10-8-19(9-11-21)28-25-27-18-23-24(30-25)32(20-12-15-33-16-13-20)26(29-23)35-22-6-4-3-5-7-22/h3-11,18,20H,12-17H2,1-2H3,(H,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461174 (CHEMBL4226676) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461179 (CHEMBL4226151) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C27H31N7OS/c1-32-13-15-33(16-14-32)21-9-7-20(8-10-21)29-26-28-19-24-25(31-26)34(22-11-17-35-18-12-22)27(30-24)36-23-5-3-2-4-6-23/h2-10,19,22H,11-18H2,1H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461175 (CHEMBL4225565) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n([C@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:26.27,wD:29.31,(49.16,-41.25,;49.17,-39.71,;47.83,-38.93,;47.84,-37.4,;49.17,-36.63,;50.51,-37.39,;50.5,-38.94,;49.17,-35.09,;47.84,-34.31,;47.84,-32.77,;49.17,-32.01,;49.17,-30.47,;50.51,-29.7,;50.51,-28.16,;51.84,-27.39,;53.17,-28.15,;54.65,-27.67,;55.56,-28.92,;57.1,-28.92,;57.87,-27.59,;59.41,-27.6,;60.18,-26.26,;59.41,-24.93,;57.86,-24.93,;57.1,-26.27,;54.65,-30.18,;55.13,-31.64,;56.63,-31.96,;57.1,-33.43,;56.07,-34.57,;56.54,-36.04,;54.56,-34.24,;54.09,-32.78,;53.17,-29.7,;51.84,-30.47,;50.5,-32.77,;50.51,-34.31,)| Show InChI InChI=1S/C28H33N7OS/c1-33-15-17-34(18-16-33)21-9-7-20(8-10-21)30-27-29-19-25-26(32-27)35(22-11-13-23(36)14-12-22)28(31-25)37-24-5-3-2-4-6-24/h2-10,19,22-23,36H,11-18H2,1H3,(H,29,30,32)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461172 (CHEMBL4228518) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461176 (CHEMBL4227084) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc([S+]([O-])c4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H30N6O3S/c1-31(2)14-17-35-21-10-8-19(9-11-21)28-25-27-18-23-24(30-25)32(20-12-15-34-16-13-20)26(29-23)36(33)22-6-4-3-5-7-22/h3-11,18,20H,12-17H2,1-2H3,(H,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461177 (CHEMBL4225951) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc([S+]([O-])c4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H31N7OS/c1-32-15-17-33(18-16-32)21-13-11-20(12-14-21)29-26-28-19-24-25(31-26)34(22-7-5-6-8-22)27(30-24)36(35)23-9-3-2-4-10-23/h2-4,9-14,19,22H,5-8,15-18H2,1H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461180 (CHEMBL4225306) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H31N7S/c1-32-15-17-33(18-16-32)21-13-11-20(12-14-21)29-26-28-19-24-25(31-26)34(22-7-5-6-8-22)27(30-24)35-23-9-3-2-4-10-23/h2-4,9-14,19,22H,5-8,15-18H2,1H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3 (Homo sapiens (Human))	BDBM50461173 (CHEMBL4226937) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4cccc(F)c4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)12-15-35-21-8-6-19(7-9-21)29-25-28-17-23-24(31-25)33(20-10-13-34-14-11-20)26(30-23)36-22-5-3-4-18(27)16-22/h3-9,16-17,20H,10-15H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461174 (CHEMBL4226676) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461172 (CHEMBL4228518) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461172 (CHEMBL4228518) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461174 (CHEMBL4226676) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461175 (CHEMBL4225565) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n([C@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:26.27,wD:29.31,(49.16,-41.25,;49.17,-39.71,;47.83,-38.93,;47.84,-37.4,;49.17,-36.63,;50.51,-37.39,;50.5,-38.94,;49.17,-35.09,;47.84,-34.31,;47.84,-32.77,;49.17,-32.01,;49.17,-30.47,;50.51,-29.7,;50.51,-28.16,;51.84,-27.39,;53.17,-28.15,;54.65,-27.67,;55.56,-28.92,;57.1,-28.92,;57.87,-27.59,;59.41,-27.6,;60.18,-26.26,;59.41,-24.93,;57.86,-24.93,;57.1,-26.27,;54.65,-30.18,;55.13,-31.64,;56.63,-31.96,;57.1,-33.43,;56.07,-34.57,;56.54,-36.04,;54.56,-34.24,;54.09,-32.78,;53.17,-29.7,;51.84,-30.47,;50.5,-32.77,;50.51,-34.31,)| Show InChI InChI=1S/C28H33N7OS/c1-33-15-17-34(18-16-33)21-9-7-20(8-10-21)30-27-29-19-25-26(32-27)35(22-11-13-23(36)14-12-22)28(31-25)37-24-5-3-2-4-6-24/h2-10,19,22-23,36H,11-18H2,1H3,(H,29,30,32)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461178 (CHEMBL4225777) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-31(2)14-17-34-21-10-8-19(9-11-21)28-25-27-18-23-24(30-25)32(20-12-15-33-16-13-20)26(29-23)35-22-6-4-3-5-7-22/h3-11,18,20H,12-17H2,1-2H3,(H,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	556	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461173 (CHEMBL4226937) Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4cccc(F)c4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)12-15-35-21-8-6-19(7-9-21)29-25-28-17-23-24(31-25)33(20-10-13-34-14-11-20)26(30-23)36-22-5-3-4-18(27)16-22/h3-9,16-17,20H,10-15H2,1-2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	805	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50461179 (CHEMBL4226151) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C27H31N7OS/c1-32-13-15-33(16-14-32)21-9-7-20(8-10-21)29-26-28-19-24-25(31-26)34(22-11-17-35-18-12-22)27(30-24)36-23-5-3-2-4-6-23/h2-10,19,22H,11-18H2,1H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	892	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ...				Bioorg Med Chem 26: 2173-2185 (2018) Article DOI: 10.1016/j.bmc.2018.03.025 BindingDB Entry DOI: 10.7270/Q2H41V28
					More data for this Ligand-Target Pair