Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P00533   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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