Compile Data Set for Download or QSAR

Found 175 hits Enz. Inhib. hit(s) with all data for entry = 153   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM31096 (CHEMBL290084 | Staurosporine | cid_451705) Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.280	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,L858R] (Homo sapiens (Human))	BDBM195875 (US9670213, Compound 020 N-(3-(2-(4-(4-methyl-1-pip...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-19-5-4-6-21(15-19)34-24(36)17-27-22-16-28-26(31-25(22)34)30-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-17H,1,11-14H2,2H3,(H,29,35)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	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,L858R] (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	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	1.02	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				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM195887 (US9670213, Compound 032 N-(3-(2-(2-methoxy-4-(4-me...) Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17	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 [L858R] (Homo sapiens (Human))	BDBM195875 (US9670213, Compound 020 N-(3-(2-(4-(4-methyl-1-pip...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-19-5-4-6-21(15-19)34-24(36)17-27-22-16-28-26(31-25(22)34)30-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-17H,1,11-14H2,2H3,(H,29,35)(H,28,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 (Homo sapiens (Human))	BDBM195875 (US9670213, Compound 020 N-(3-(2-(4-(4-methyl-1-pip...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-19-5-4-6-21(15-19)34-24(36)17-27-22-16-28-26(31-25(22)34)30-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-17H,1,11-14H2,2H3,(H,29,35)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.47	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 [L858R] (Homo sapiens (Human))	BDBM195887 (US9670213, Compound 032 N-(3-(2-(2-methoxy-4-(4-me...) Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.36	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 [L858R] (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.60	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				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.02	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 (Homo sapiens (Human))	BDBM195887 (US9670213, Compound 032 N-(3-(2-(2-methoxy-4-(4-me...) Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.67	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,L858R] (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.39	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,L858R] (Homo sapiens (Human))	BDBM195879 (US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...) Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.12	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,L858R] (Homo sapiens (Human))	BDBM195870 (US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.28	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,L858R] (Homo sapiens (Human))	BDBM195877 (US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.33	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,L858R] (Homo sapiens (Human))	BDBM195876 (US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.49	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,L858R] (Homo sapiens (Human))	BDBM195878 (US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...) Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.57	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM31096 (CHEMBL290084 | Staurosporine | cid_451705) Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.60	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 [L858R] (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.83	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 [L858R] (Homo sapiens (Human))	BDBM195881 (US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...) Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.93	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 (Homo sapiens (Human))	BDBM195881 (US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...) Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7.24	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 (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.94	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,L858R] (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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 (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	9.58	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				3D Structure (crystal)
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.64	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 [L858R] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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))	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 [L858R] (Homo sapiens (Human))	BDBM195870 (US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)	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
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 [L858R] (Homo sapiens (Human))	BDBM195876 (US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)	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
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 (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 [L858R] (Homo sapiens (Human))	BDBM195879 (US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...) Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 [L858R] (Homo sapiens (Human))	BDBM195877 (US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM195875 (US9670213, Compound 020 N-(3-(2-(4-(4-methyl-1-pip...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-19-5-4-6-21(15-19)34-24(36)17-27-22-16-28-26(31-25(22)34)30-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-17H,1,11-14H2,2H3,(H,29,35)(H,28,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<14	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 (Homo sapiens (Human))	BDBM195870 (US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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,L858R] (Homo sapiens (Human))	BDBM195881 (US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...) Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	16	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 [L858R] (Homo sapiens (Human))	BDBM195878 (US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...) Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)	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
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 (Homo sapiens (Human))	BDBM195879 (US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...) Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 (Homo sapiens (Human))	BDBM195869 (US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...) Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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))	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 (Homo sapiens (Human))	BDBM195876 (US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 (Homo sapiens (Human))	BDBM195877 (US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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 (Homo sapiens (Human))	BDBM195878 (US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...) Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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 [L858R] (Homo sapiens (Human))	BDBM195869 (US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...) Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195081 (US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...) Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195860 (US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...) Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195883 (US9670213, Compound 028 2-(3-aminophenylamino)-8-(...) Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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,L858R] (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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,L858R] (Homo sapiens (Human))	BDBM195868 (US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195885 (US9670213, Compound 030 2-(4-aminophenylamino)-8-(...) Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	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

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