Compile Data Set for Download or QSAR

Found 229 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M]'   

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 [T790M] (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228125 ((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-et...) Show SMILES CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C26H26Cl2FN5O4/c1-2-36-20-11-18-15(26(31-14-30-18)33-17-6-5-16(27)24(28)25(17)29)10-19(20)32-23(35)4-3-7-34-12-21-22(13-34)38-9-8-37-21/h3-6,10-11,14,21-22H,2,7-9,12-13H2,1H3,(H,32,35)(H,30,31,33)/b4-3+/t21-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270538 (US10059688, Example 4 | US9783524, Example 4) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H30ClN7O3/c1-33(2)16-10-12-34(13-11-16)17-8-9-21(22(14-17)37-3)31-26-29-15-19(27)25(32-26)30-20-7-5-4-6-18(20)23(35)24(28)36/h4-9,14-16H,10-13H2,1-3H3,(H2,28,36)(H2,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.08	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228117 ((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C32H33ClN6O5/c1-2-41-28-16-25-23(15-26(28)38-31(40)7-5-11-39-17-29-30(18-39)43-13-12-42-29)32(36-20-35-25)37-21-8-9-27(24(33)14-21)44-19-22-6-3-4-10-34-22/h3-10,14-16,20,29-30H,2,11-13,17-19H2,1H3,(H,38,40)(H,35,36,37)/b7-5+/t29-,30+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391733 (N-(3-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O |t:34| Show InChI InChI=1S/C28H27F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-10,14-16H,1,11-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228126 ((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-(2...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C27H28Cl2FN5O5/c1-37-7-8-38-21-12-19-16(27(32-15-31-19)34-18-5-4-17(28)25(29)26(18)30)11-20(21)33-24(36)3-2-6-35-13-22-23(14-35)40-10-9-39-22/h2-5,11-12,15,22-23H,6-10,13-14H2,1H3,(H,33,36)(H,31,32,34)/b3-2+/t22-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391731 (US10300058, Compound 1 | pyrimidin-4-yl)amino)pyri...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H27F3N8O3/c1-4-23(39)33-21-6-5-7-22(32-21)34-24-18(26(27,28)29)15-30-25(35-24)31-19-9-8-17(14-20(19)40-3)37-12-10-36(11-13-37)16(2)38/h4-9,14-15H,1,10-13H2,2-3H3,(H3,30,31,32,33,34,35,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228118 ((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...) Show SMILES Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r| Show InChI InChI=1S/C34H35ClN6O6/c35-26-14-22(6-7-29(26)46-19-23-4-1-2-9-36-23)39-34-25-15-28(30(16-27(25)37-21-38-34)47-24-8-11-43-20-24)40-33(42)5-3-10-41-17-31-32(18-41)45-13-12-44-31/h1-7,9,14-16,21,24,31-32H,8,10-13,17-20H2,(H,40,42)(H,37,38,39)/b5-3+/t24-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228109 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-ethoxy...) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C26H27ClFN5O4/c1-2-35-22-12-20-17(26(30-15-29-20)31-16-5-6-19(28)18(27)10-16)11-21(22)32-25(34)4-3-7-33-13-23-24(14-33)37-9-8-36-23/h3-6,10-12,15,23-24H,2,7-9,13-14H2,1H3,(H,32,34)(H,29,30,31)/b4-3+/t23-,24+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391732 (US10300058, Compound 2 | acrylamide ) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C28H29F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-9,14-16,18H,1,10-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228124 ((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-me...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C25H24Cl2FN5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(26)23(27)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228110 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((s)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r| Show InChI InChI=1S/C28H29ClFN5O5/c29-20-10-17(3-4-21(20)30)33-28-19-11-23(24(12-22(19)31-16-32-28)40-18-5-7-37-15-18)34-27(36)2-1-6-35-13-25-26(14-35)39-9-8-38-25/h1-4,10-12,16,18,25-26H,5-9,13-15H2,(H,34,36)(H,31,32,33)/b2-1+/t18-,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228127 ((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-((...) Show SMILES Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r| Show InChI InChI=1S/C28H28Cl2FN5O5/c29-18-3-4-19(27(31)26(18)30)35-28-17-10-21(22(11-20(17)32-15-33-28)41-16-5-7-38-14-16)34-25(37)2-1-6-36-12-23-24(13-36)40-9-8-39-23/h1-4,10-11,15-16,23-24H,5-9,12-14H2,(H,34,37)(H,32,33,35)/b2-1+/t16-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391735 (N-(6-((2-((4-(1-acetylpiperidin-4-yl)-2-methoxyphe...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-9,14-15,17H,1,10-13H2,2-3H3,(H3,31,32,33,34,35,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228107 ( (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-metho...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228116 ((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C31H31ClN6O5/c1-40-27-15-24-22(14-25(27)37-30(39)6-4-10-38-16-28-29(17-38)42-12-11-41-28)31(35-19-34-24)36-20-7-8-26(23(32)13-20)43-18-21-5-2-3-9-33-21/h2-9,13-15,19,28-29H,10-12,16-18H2,1H3,(H,37,39)(H,34,35,36)/b6-4+/t28-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228111 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2-met...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C27H29ClFN5O5/c1-36-7-8-37-23-13-21-18(27(31-16-30-21)32-17-4-5-20(29)19(28)11-17)12-22(23)33-26(35)3-2-6-34-14-24-25(15-34)39-10-9-38-24/h2-5,11-13,16,24-25H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t24-,25+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391736 (N-(6-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O |t:34| Show InChI InChI=1S/C27H26F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-10,14-15H,1,11-13H2,2-3H3,(H3,31,32,33,34,35,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397288 (US10596172, Compound I-3 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)c1 Show InChI InChI=1S/C20H18FN5O/c1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC 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 (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397144 (US10596172, Compound I-4 | US10828300, Compound I-...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1 Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC 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 (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397143 (US10596172, Compound I-8 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1 Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397288 (US10596172, Compound I-3 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)c1 Show InChI InChI=1S/C20H18FN5O/c1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397144 (US10596172, Compound I-4 | US10828300, Compound I-...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1 Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397173 (US10596172, Compound I-96 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)26-14-5-4-6-15(11-14)27-21-18(24)13-25-22(29-21)28-16-7-8-19(17(23)12-16)32-10-9-31-2/h3-8,11-13H,1,9-10H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397143 (US10596172, Compound I-8 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1 Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC 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 (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM397173 (US10596172, Compound I-96 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)26-14-5-4-6-15(11-14)27-21-18(24)13-25-22(29-21)28-16-7-8-19(17(23)12-16)32-10-9-31-2/h3-8,11-13H,1,9-10H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC 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 (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM195864 (US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...) Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1 Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
East China University of Science and Technology US Patent					Assay Description In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...				US Patent US9670213 (2017) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228113 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(metho...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM391734 (N-(3-((2-((2-acetyl-7-methoxy-1,2,3,4-tetrahydrois...) Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O Show InChI InChI=1S/C26H25F3N6O3/c1-4-23(37)31-18-6-5-7-19(12-18)32-24-20(26(27,28)29)13-30-25(34-24)33-21-10-16-8-9-35(15(2)36)14-17(16)11-22(21)38-3/h4-7,10-13H,1,8-9,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228121 ((e)-n-(7-ethoxy-4-((1-(3-fluorobenzyl)-1h-indazol-...) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C34H34FN7O4/c1-2-44-30-16-27-26(15-28(30)40-33(43)7-4-10-41-19-31-32(20-41)46-12-11-45-31)34(37-21-36-27)39-25-8-9-29-23(14-25)17-38-42(29)18-22-5-3-6-24(35)13-22/h3-9,13-17,21,31-32H,2,10-12,18-20H2,1H3,(H,40,43)(H,36,37,39)/b7-4+/t31-,32+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270542 (2-(2-(2-(4-acryloyl-3,4- dihydro-2H-benzo[b][1,4] ...) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl Show InChI InChI=1S/C25H23ClN6O4/c1-4-21(33)32-11-12-36-20-10-9-15(13-19(20)32)28-25-27-14-17(26)23(30-25)29-18-8-6-5-7-16(18)22(34)24(35)31(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270541 (US10059688, Example 74) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)16(22)15(21)11-5-3-4-6-13(11)19-14-9-10(17)7-8-12(14)18/h3-9,19H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228108 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-methox...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM195861 (US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...) Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
East China University of Science and Technology US Patent					Assay Description In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...				US Patent US9670213 (2017) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM378885 (US10266537, Compound 93) Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc.					Assay Description The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...				Bioorg Med Chem Lett 17: 3562-9 (2007) BindingDB Entry DOI: 10.7270/Q21C2065
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228128 ((e)-n-(4-((3-chloro-2,4-difluorophenyl)amino)-7-me...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C25H24ClF2N5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(27)23(26)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	22.5	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228112 ((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2,2,2...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r| Show InChI InChI=1S/C26H24ClF4N5O4/c27-17-8-15(3-4-18(17)28)34-25-16-9-20(21(40-13-26(29,30)31)10-19(16)32-14-33-25)35-24(37)2-1-5-36-11-22-23(12-36)39-7-6-38-22/h1-4,8-10,14,22-23H,5-7,11-13H2,(H,35,37)(H,32,33,34)/b2-1+/t22-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.6	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228120 ((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...) Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r| Show InChI InChI=1S/C33H32FN7O4/c1-43-29-15-26-25(14-27(29)39-32(42)6-3-9-40-18-30-31(19-40)45-11-10-44-30)33(36-20-35-26)38-24-7-8-28-22(13-24)16-37-41(28)17-21-4-2-5-23(34)12-21/h2-8,12-16,20,30-31H,9-11,17-19H2,1H3,(H,39,42)(H,35,36,38)/b6-3+/t30-,31+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.9	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270539 (2-(2-(5-chloro-2-(3-methoxy- 4-(4-methylpiperazin-...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H30ClN7O3/c1-32(2)25(36)23(35)18-7-5-6-8-20(18)30-24-19(27)16-28-26(31-24)29-17-9-10-21(22(15-17)37-4)34-13-11-33(3)12-14-34/h5-10,15-16H,11-14H2,1-4H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228115 ((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...) Show SMILES Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r| Show InChI InChI=1S/C30H29ClN6O4/c31-24-15-21(7-9-26(24)41-18-22-4-1-2-10-32-22)36-30-23-14-20(6-8-25(23)33-19-34-30)35-29(38)5-3-11-37-16-27-28(17-37)40-13-12-39-27/h1-10,14-15,19,27-28H,11-13,16-18H2,(H,35,38)(H,33,34,36)/b5-3+/t27-,28+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47.3	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM50171908 (CHEMBL3805238 | US10106508, Compound I-38) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12 Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM50171880 (CHEMBL3804868 | US10106508, Compound I-37) Show SMILES CCOc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2c2OCCOc12 Show InChI InChI=1S/C19H18ClN3O3/c1-3-24-15-9-14-16(18-17(15)25-6-7-26-18)19(22-10-21-14)23-12-5-4-11(2)13(20)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM50171879 (CHEMBL3805774 | US10106508, Compound I-36) Show SMILES CCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2OCCOc12 Show InChI InChI=1S/C19H19N3O4/c1-3-24-15-10-14-16(18-17(15)25-7-8-26-18)19(21-11-20-14)22-12-5-4-6-13(9-12)23-2/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM50171878 (CHEMBL3805039 | US10106508, Compound I-35) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12 Show InChI InChI=1S/C20H17N3O3/c1-3-13-6-5-7-14(10-13)23-20-17-15(21-12-22-20)11-16(24-4-2)18-19(17)26-9-8-25-18/h1,5-7,10-12H,4,8-9H2,2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair

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