Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with all data for entry = 50009536   

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))	BDBM50260360 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260360 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529703 (CHEMBL4557772) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529703 (CHEMBL4557772) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529698 (CHEMBL4464589) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H38FN7O2/c1-7-8-9-10-30(40)34-25-18-26(29(41-6)19-28(25)38(4)16-15-37(2)3)36-31-33-14-13-24(35-31)23-20-39(5)27-12-11-21(32)17-22(23)27/h9-14,17-20H,7-8,15-16H2,1-6H3,(H,34,40)(H,33,35,36)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529698 (CHEMBL4464589) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H38FN7O2/c1-7-8-9-10-30(40)34-25-18-26(29(41-6)19-28(25)38(4)16-15-37(2)3)36-31-33-14-13-24(35-31)23-20-39(5)27-12-11-21(32)17-22(23)27/h9-14,17-20H,7-8,15-16H2,1-6H3,(H,34,40)(H,33,35,36)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					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	8	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529688 (CHEMBL4548960) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529688 (CHEMBL4548960) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					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	8	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260360 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260360 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529705 (CHEMBL4439632) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H34ClN7O2/c1-18-14-22(21-17-37(6)25-11-9-8-10-20(21)25)33-29(31-18)34-24-15-23(32-28(38)19(2)30)26(16-27(24)39-7)36(5)13-12-35(3)4/h8-11,14-17H,2,12-13H2,1,3-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529705 (CHEMBL4439632) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H34ClN7O2/c1-18-14-22(21-17-37(6)25-11-9-8-10-20(21)25)33-29(31-18)34-24-15-23(32-28(38)19(2)30)26(16-27(24)39-7)36(5)13-12-35(3)4/h8-11,14-17H,2,12-13H2,1,3-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529698 (CHEMBL4464589) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H38FN7O2/c1-7-8-9-10-30(40)34-25-18-26(29(41-6)19-28(25)38(4)16-15-37(2)3)36-31-33-14-13-24(35-31)23-20-39(5)27-12-11-21(32)17-22(23)27/h9-14,17-20H,7-8,15-16H2,1-6H3,(H,34,40)(H,33,35,36)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529698 (CHEMBL4464589) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H38FN7O2/c1-7-8-9-10-30(40)34-25-18-26(29(41-6)19-28(25)38(4)16-15-37(2)3)36-31-33-14-13-24(35-31)23-20-39(5)27-12-11-21(32)17-22(23)27/h9-14,17-20H,7-8,15-16H2,1-6H3,(H,34,40)(H,33,35,36)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529702 (CHEMBL4445797) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H36N8O2/c1-7-8-13-29(40)34-24-16-25(28(41-6)17-27(24)38(4)15-14-37(2)3)35-31-33-19-21(18-32)30(36-31)23-20-39(5)26-12-10-9-11-22(23)26/h8-13,16-17,19-20H,7,14-15H2,1-6H3,(H,34,40)(H,33,35,36)/b13-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					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 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	16	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529702 (CHEMBL4445797) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H36N8O2/c1-7-8-13-29(40)34-24-16-25(28(41-6)17-27(24)38(4)15-14-37(2)3)35-31-33-19-21(18-32)30(36-31)23-20-39(5)26-12-10-9-11-22(23)26/h8-13,16-17,19-20H,7,14-15H2,1-6H3,(H,34,40)(H,33,35,36)/b13-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529707 (CHEMBL4463634) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H31ClN8O2/c1-18(30)28(39)33-22-13-23(26(40-6)14-25(22)37(4)12-11-36(2)3)34-29-32-16-19(15-31)27(35-29)21-17-38(5)24-10-8-7-9-20(21)24/h7-10,13-14,16-17H,1,11-12H2,2-6H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529707 (CHEMBL4463634) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H31ClN8O2/c1-18(30)28(39)33-22-13-23(26(40-6)14-25(22)37(4)12-11-36(2)3)34-29-32-16-19(15-31)27(35-29)21-17-38(5)24-10-8-7-9-20(21)24/h7-10,13-14,16-17H,1,11-12H2,2-6H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029658 (CHEMBL3353406) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H32N8O2/c1-7-27(38)32-22-14-23(26(39-6)15-25(22)36(4)13-12-35(2)3)33-29-31-17-19(16-30)28(34-29)21-18-37(5)24-11-9-8-10-20(21)24/h7-11,14-15,17-18H,1,12-13H2,2-6H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029658 (CHEMBL3353406) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H32N8O2/c1-7-27(38)32-22-14-23(26(39-6)15-25(22)36(4)13-12-35(2)3)33-29-31-17-19(16-30)28(34-29)21-18-37(5)24-11-9-8-10-20(21)24/h7-11,14-15,17-18H,1,12-13H2,2-6H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529694 (CHEMBL4441933) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32ClN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529694 (CHEMBL4441933) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32ClN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529690 (CHEMBL4553685) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H38N8O2/c1-7-8-9-14-30(41)35-25-17-26(29(42-6)18-28(25)39(4)16-15-38(2)3)36-32-34-20-22(19-33)31(37-32)24-21-40(5)27-13-11-10-12-23(24)27/h9-14,17-18,20-21H,7-8,15-16H2,1-6H3,(H,35,41)(H,34,36,37)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529690 (CHEMBL4553685) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H38N8O2/c1-7-8-9-14-30(41)35-25-17-26(29(42-6)18-28(25)39(4)16-15-38(2)3)36-32-34-20-22(19-33)31(37-32)24-21-40(5)27-13-11-10-12-23(24)27/h9-14,17-18,20-21H,7-8,15-16H2,1-6H3,(H,35,41)(H,34,36,37)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529685 (CHEMBL4434924) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)\C=C/C(C)C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H41N7O2/c1-21(2)13-14-31(40)34-26-18-27(30(41-8)19-29(26)38(6)16-15-37(4)5)36-32-33-22(3)17-25(35-32)24-20-39(7)28-12-10-9-11-23(24)28/h9-14,17-21H,15-16H2,1-8H3,(H,34,40)(H,33,35,36)/b14-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529685 (CHEMBL4434924) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)\C=C/C(C)C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H41N7O2/c1-21(2)13-14-31(40)34-26-18-27(30(41-8)19-29(26)38(6)16-15-37(4)5)36-32-33-22(3)17-25(35-32)24-20-39(7)28-12-10-9-11-23(24)28/h9-14,17-21H,15-16H2,1-8H3,(H,34,40)(H,33,35,36)/b14-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529693 (CHEMBL4451986) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)\C=C/C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H35N7O2/c1-7-10-28(37)31-23-17-24(27(38-6)18-26(23)35(4)16-15-34(2)3)33-29-30-14-13-22(32-29)21-19-36(5)25-12-9-8-11-20(21)25/h7-14,17-19H,15-16H2,1-6H3,(H,31,37)(H,30,32,33)/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529693 (CHEMBL4451986) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)\C=C/C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H35N7O2/c1-7-10-28(37)31-23-17-24(27(38-6)18-26(23)35(4)16-15-34(2)3)33-29-30-14-13-22(32-29)21-19-36(5)25-12-9-8-11-20(21)25/h7-14,17-19H,15-16H2,1-6H3,(H,31,37)(H,30,32,33)/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529703 (CHEMBL4557772) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529703 (CHEMBL4557772) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529705 (CHEMBL4439632) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H34ClN7O2/c1-18-14-22(21-17-37(6)25-11-9-8-10-20(21)25)33-29(31-18)34-24-15-23(32-28(38)19(2)30)26(16-27(24)39-7)36(5)13-12-35(3)4/h8-11,14-17H,2,12-13H2,1,3-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529705 (CHEMBL4439632) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H34ClN7O2/c1-18-14-22(21-17-37(6)25-11-9-8-10-20(21)25)33-29(31-18)34-24-15-23(32-28(38)19(2)30)26(16-27(24)39-7)36(5)13-12-35(3)4/h8-11,14-17H,2,12-13H2,1,3-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529689 (CHEMBL4557005) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H35N7O2/c1-8-28(37)31-23-16-24(27(38-7)17-26(23)35(5)14-13-34(3)4)33-29-30-19(2)15-22(32-29)21-18-36(6)25-12-10-9-11-20(21)25/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529689 (CHEMBL4557005) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(C)cc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H35N7O2/c1-8-28(37)31-23-16-24(27(38-7)17-26(23)35(5)14-13-34(3)4)33-29-30-19(2)15-22(32-29)21-18-36(6)25-12-10-9-11-20(21)25/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529707 (CHEMBL4463634) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H31ClN8O2/c1-18(30)28(39)33-22-13-23(26(40-6)14-25(22)37(4)12-11-36(2)3)34-29-32-16-19(15-31)27(35-29)21-17-38(5)24-10-8-7-9-20(21)24/h7-10,13-14,16-17H,1,11-12H2,2-6H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529707 (CHEMBL4463634) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(Cl)=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C29H31ClN8O2/c1-18(30)28(39)33-22-13-23(26(40-6)14-25(22)37(4)12-11-36(2)3)34-29-32-16-19(15-31)27(35-29)21-17-38(5)24-10-8-7-9-20(21)24/h7-10,13-14,16-17H,1,11-12H2,2-6H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529681 (CHEMBL4468034) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C30H37N7O2/c1-7-8-13-29(38)32-24-18-25(28(39-6)19-27(24)36(4)17-16-35(2)3)34-30-31-15-14-23(33-30)22-20-37(5)26-12-10-9-11-21(22)26/h8-15,18-20H,7,16-17H2,1-6H3,(H,32,38)(H,31,33,34)/b13-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529681 (CHEMBL4468034) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C30H37N7O2/c1-7-8-13-29(38)32-24-18-25(28(39-6)19-27(24)36(4)17-16-35(2)3)34-30-31-15-14-23(33-30)22-20-37(5)26-12-10-9-11-21(22)26/h8-15,18-20H,7,16-17H2,1-6H3,(H,32,38)(H,31,33,34)/b13-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529706 (CHEMBL4470120) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H37FN8O2/c1-7-8-9-10-30(42)36-25-16-26(29(43-6)17-28(25)40(4)14-13-39(2)3)37-32-35-19-21(18-34)31(38-32)24-20-41(5)27-12-11-22(33)15-23(24)27/h9-12,15-17,19-20H,7-8,13-14H2,1-6H3,(H,36,42)(H,35,37,38)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529706 (CHEMBL4470120) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccc(F)cc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C32H37FN8O2/c1-7-8-9-10-30(42)36-25-16-26(29(43-6)17-28(25)40(4)14-13-39(2)3)37-32-35-19-21(18-34)31(38-32)24-20-41(5)27-12-11-22(33)15-23(24)27/h9-12,15-17,19-20H,7-8,13-14H2,1-6H3,(H,36,42)(H,35,37,38)/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529686 (CHEMBL4583858) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-7-8-9-14-30(39)33-25-19-26(29(40-6)20-28(25)37(4)18-17-36(2)3)35-31-32-16-15-24(34-31)23-21-38(5)27-13-11-10-12-22(23)27/h9-16,19-21H,7-8,17-18H2,1-6H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529686 (CHEMBL4583858) Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-7-8-9-14-30(39)33-25-19-26(29(40-6)20-28(25)37(4)18-17-36(2)3)35-31-32-16-15-24(34-31)23-21-38(5)27-13-11-10-12-22(23)27/h9-16,19-21H,7-8,17-18H2,1-6H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529692 (CHEMBL4527702) Show SMILES [#6]-[#8]-c1cc(-[#7](-[#6])-[#6]-[#6]-[#7](-[#6])-[#6])c(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])cc1-[#7]-c1nccc(n1)-c1cn(-[#6])c2ccccc12 Show InChI InChI=1S/C30H37N7O2/c1-20(2)16-29(38)32-24-17-25(28(39-7)18-27(24)36(5)15-14-35(3)4)34-30-31-13-12-23(33-30)22-19-37(6)26-11-9-8-10-21(22)26/h8-13,16-19H,14-15H2,1-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529692 (CHEMBL4527702) Show SMILES [#6]-[#8]-c1cc(-[#7](-[#6])-[#6]-[#6]-[#7](-[#6])-[#6])c(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])cc1-[#7]-c1nccc(n1)-c1cn(-[#6])c2ccccc12 Show InChI InChI=1S/C30H37N7O2/c1-20(2)16-29(38)32-24-17-25(28(39-7)18-27(24)36(5)15-14-35(3)4)34-30-31-13-12-23(33-30)22-19-37(6)26-11-9-8-10-21(22)26/h8-13,16-19H,14-15H2,1-7H3,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair

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