Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [668-1210,T790M,L858R]'   

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 [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287595 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C25H31N9O2/c1-7-24(35)28-19-12-20(23(36-6)13-22(19)32(4)11-10-31(2)3)29-25-26-15-18-8-9-21(34(18)30-25)17-14-27-33(5)16-17/h7-9,12-16H,1,10-11H2,2-6H3,(H,28,35)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287615 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1 Show InChI InChI=1S/C30H32N8O2/c1-6-29(39)33-24-16-25(28(40-5)17-27(24)37(4)14-13-36(2)3)34-30-32-19-22-11-12-26(38(22)35-30)21-15-20-9-7-8-10-23(20)31-18-21/h6-12,15-19H,1,13-14H2,2-5H3,(H,33,39)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287608 (N-(2-(2-(dimethylamino)ethoxyl)-4-methoxy-5-(7-(1-...) Show SMILES COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C24H28N8O3/c1-6-23(33)27-19-11-18(21(34-5)12-22(19)35-10-9-30(2)3)28-24-25-14-17-7-8-20(32(17)29-24)16-13-26-31(4)15-16/h6-8,11-15H,1,9-10H2,2-5H3,(H,27,33)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238274 (US9409887, I-5) Show SMILES COc1cc(NC(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C24H25F3N6O2/c1-5-21(34)30-15-7-6-8-16(11-15)31-22-18(24(25,26)27)13-28-23(33-22)32-19-10-9-17(29-14(2)3)12-20(19)35-4/h5-14,29H,1H2,2-4H3,(H,30,34)(H2,28,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238271 (US9409887, I-2) Show SMILES COc1cc(NC2CN(C2)C(C)=O)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H26F3N7O3/c1-4-23(38)32-16-6-5-7-17(10-16)33-24-20(26(27,28)29)12-30-25(35-24)34-21-9-8-18(11-22(21)39-3)31-19-13-36(14-19)15(2)37/h4-12,19,31H,1,13-14H2,2-3H3,(H,32,38)(H2,30,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238270 (US9409887, I-1) Show SMILES COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287617 (US10085983, Compound J-12) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccn(C)c3)n2n1 Show InChI InChI=1S/C26H32N8O2/c1-7-25(35)28-20-14-21(24(36-6)15-23(20)33(5)13-12-31(2)3)29-26-27-16-19-8-9-22(34(19)30-26)18-10-11-32(4)17-18/h7-11,14-17H,1,12-13H2,2-6H3,(H,28,35)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287609 ( N-(4-methoxy-5-(7-(1-methyl-1H-pyrazol-4-yl)pyrro...) Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C25H29N9O2/c1-5-24(35)28-19-12-20(23(36-4)13-22(19)33-10-8-31(2)9-11-33)29-25-26-15-18-6-7-21(34(18)30-25)17-14-27-32(3)16-17/h5-7,12-16H,1,8-11H2,2-4H3,(H,28,35)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287613 (N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1 Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-18-13-19(22(33-5)14-21(18)30(4)12-11-29(2)3)27-24-25-15-17-9-10-20(16-7-8-16)31(17)28-24/h6,9-10,13-16H,1,7-8,11-12H2,2-5H3,(H,26,32)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287607 (N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C27H33N9O2/c1-6-26(37)30-21-13-22(25(38-5)14-24(21)35-11-9-19(10-12-35)33(2)3)31-27-28-16-20-7-8-23(36(20)32-27)18-15-29-34(4)17-18/h6-8,13-17,19H,1,9-12H2,2-5H3,(H,30,37)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287612 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1 Show InChI InChI=1S/C29H33N9O2/c1-7-27(39)32-22-15-23(26(40-6)16-25(22)36(4)13-12-35(2)3)33-29-31-18-21-8-9-24(38(21)34-29)20-14-19-10-11-37(5)28(19)30-17-20/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,39)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287611 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cccnc3)n2n1 Show InChI InChI=1S/C26H30N8O2/c1-6-25(35)29-20-14-21(24(36-5)15-23(20)33(4)13-12-32(2)3)30-26-28-17-19-9-10-22(34(19)31-26)18-8-7-11-27-16-18/h6-11,14-17H,1,12-13H2,2-5H3,(H,29,35)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287616 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccccc3)n2n1 Show InChI InChI=1S/C27H31N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6-13,16-18H,1,14-15H2,2-5H3,(H,29,35)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287610 (N-(5(7-cyclohexenyl-pyrrolo[1,2-f][1,2,4]triazin-2...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3=CCCCC3)n2n1 |t:29| Show InChI InChI=1S/C27H35N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6,10,12-13,16-18H,1,7-9,11,14-15H2,2-5H3,(H,29,35)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287618 (N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1 Show InChI InChI=1S/C32H34N8O2/c1-5-31(41)35-26-17-27(30(42-4)18-29(26)39-14-12-23(13-15-39)38(2)3)36-32-34-20-24-10-11-28(40(24)37-32)22-16-21-8-6-7-9-25(21)33-19-22/h5-11,16-20,23H,1,12-15H2,2-4H3,(H,35,41)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238273 (US9409887, I-4) Show SMILES COc1cc(NC(C)C)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C23H25ClN6O2/c1-5-21(31)27-15-7-6-8-16(11-15)28-22-18(24)13-25-23(30-22)29-19-10-9-17(26-14(2)3)12-20(19)32-4/h5-14,26H,1H2,2-4H3,(H,27,31)(H2,25,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287619 (N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1 Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-19-13-20(27-24-25-15-18-8-7-16(2)31(18)28-24)22(33-5)14-21(19)30-11-9-17(10-12-30)29(3)4/h6-8,13-15,17H,1,9-12H2,2-5H3,(H,26,32)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287621 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C26H33N9O2/c1-8-25(36)29-19-12-20(24(37-7)13-22(19)33(5)10-9-32(3)4)30-26-27-15-23-17(2)11-21(35(23)31-26)18-14-28-34(6)16-18/h8,11-16H,1,9-10H2,2-7H3,(H,29,36)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287614 (N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1 Show InChI InChI=1S/C22H29N7O2/c1-7-21(30)24-17-12-18(20(31-6)13-19(17)28(5)11-10-27(3)4)25-22-23-14-16-9-8-15(2)29(16)26-22/h7-9,12-14H,1,10-11H2,2-6H3,(H,24,30)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM50123163 (CHEMBL3622672 | US9388160, 12) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-9-7-10-20(15-19)29-26-21-16-23(24(33-2)17-22(21)27-18-28-26)30-25(32)11-8-14-31-12-5-4-6-13-31/h1,7-11,15-18H,4-6,12-14H2,2H3,(H,30,32)(H,27,28,29)/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	30
Teligene Ltd US Patent					Assay Description The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...				US Patent US9388160 (2016) BindingDB Entry DOI: 10.7270/Q2T152J9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM50123163 (CHEMBL3622672 | US9388160, 12) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-9-7-10-20(15-19)29-26-21-16-23(24(33-2)17-22(21)27-18-28-26)30-25(32)11-8-14-31-12-5-4-6-13-31/h1,7-11,15-18H,4-6,12-14H2,2H3,(H,30,32)(H,27,28,29)/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	30
Teligene Ltd US Patent					Assay Description The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...				US Patent US9388160 (2016) BindingDB Entry DOI: 10.7270/Q2T152J9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287620 (N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1 Show InChI InChI=1S/C26H33N7O2/c1-5-25(34)28-20-14-21(24(35-4)15-23(20)32-12-10-18(11-13-32)31(2)3)29-26-27-16-19-8-9-22(17-6-7-17)33(19)30-26/h5,8-9,14-18H,1,6-7,10-13H2,2-4H3,(H,28,34)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM287622 (The Preparation of N-(2-(4-(dimethylamino)piperidi...) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1 Show InChI InChI=1S/C28H35N9O2/c1-7-27(38)31-21-13-22(26(39-6)14-24(21)36-10-8-20(9-11-36)34(3)4)32-28-29-16-25-18(2)12-23(37(25)33-28)19-15-30-35(5)17-19/h7,12-17,20H,1,8-11H2,2-6H3,(H,31,38)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	25
Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd. US Patent					Assay Description All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...				US Patent US10085983 (2018) BindingDB Entry DOI: 10.7270/Q28W3GBG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238270 (US9409887, I-1) Show SMILES COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (M...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R] (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (M...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair