Compile Data Set for Download or QSAR

Found 13 hits of kd 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 [T790M,L858R] (Homo sapiens (Human))	BDBM313222 (N-[3-[[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-(tri...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H28F3N7O/c1-3-23(37)31-19-6-5-7-20(16-19)32-24-22(26(27,28)29)17-30-25(34-24)33-18-8-10-21(11-9-18)36-14-12-35(4-2)13-15-36/h3,5-11,16-17H,1,4,12-15H2,2H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US10167264 (2019) BindingDB Entry DOI: 10.7270/Q2CZ397P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM313223 (N-[3-[[2-[4-(4-ethylpiperazin-1-yl)-2-methoxy-anil...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C27H30F3N7O2/c1-4-24(38)32-18-7-6-8-19(15-18)33-25-21(27(28,29)30)17-31-26(35-25)34-22-10-9-20(16-23(22)39-3)37-13-11-36(5-2)12-14-37/h4,6-10,15-17H,1,5,11-14H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US10167264 (2019) BindingDB Entry DOI: 10.7270/Q2CZ397P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM313221 (N-[3-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-(tr...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H26F3N7O2/c1-3-23(38)31-19-5-4-6-20(15-19)32-24-22(26(27,28)29)16-30-25(34-24)33-18-7-9-21(10-8-18)36-13-11-35(12-14-36)17(2)37/h3-10,15-16H,1,11-14H2,2H3,(H,31,38)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US10167264 (2019) BindingDB Entry DOI: 10.7270/Q2CZ397P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US10167264 (2019) BindingDB Entry DOI: 10.7270/Q2CZ397P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM76973 (US9694011, Example 2 (Compound 18)) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C25H23ClN6O2/c1-2-21(33)31-12-6-7-17(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-10-11-20(19(26)13-16)34-18-8-4-3-5-9-18/h2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,27,28,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a	32
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US9694011 (2017) BindingDB Entry DOI: 10.7270/Q20K26Q4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM76963 (US9694011, Example 1 (Compound 17)) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C25H23FN6O2/c1-2-21(33)31-13-3-4-18(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-5-9-19(10-6-16)34-20-11-7-17(26)8-12-20/h2,5-12,15,18H,1,3-4,13-14H2,(H2,27,28,29)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	32
Jiangsu Medolution Ltd US Patent					Assay Description Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...				US Patent US9694011 (2017) BindingDB Entry DOI: 10.7270/Q20K26Q4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373705 (US10246444, Example 82) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373704 (US10246444, Example 81) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373711 (US10246444, Example 40) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1 Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373700 (US10246444, Example 36) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373709 (US10246444, Example 86) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM373698 (US10246444, Example 34) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair