Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 10554   

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 (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318915 (N-(3-(2-((2-fluoro-4-(4-(2-hydroxyethyl)piperazin-...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C29H29FN6O2/c1-2-27(38)32-22-7-3-5-20(17-22)24-8-4-6-21-19-31-29(34-28(21)24)33-26-10-9-23(18-25(26)30)36-13-11-35(12-14-36)15-16-37/h2-10,17-19,37H,1,11-16H2,(H,32,38)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318916 (N-(3-(2-((2,3-difluoro-4-(4-(2-hydroxyethyl)pipera...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1F Show InChI InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318871 (N-(5-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cncc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-22-15-20(16-28-18-22)24-6-4-5-19-17-29-27(32-26(19)24)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h3-10,15-18H,1,11-14H2,2H3,(H,30,35)(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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM549551 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4- | US11...) Show SMILES FC1CNCCC1Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318875 (N-(2-fluoro-3-(2-((6-(4-methylpiperazin-1-yl)pyrid...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cn1 Show InChI InChI=1S/C27H26FN7O/c1-3-24(36)32-22-9-5-7-20(25(22)28)21-8-4-6-18-16-30-27(33-26(18)21)31-19-10-11-23(29-17-19)35-14-12-34(2)13-15-35/h3-11,16-17H,1,12-15H2,2H3,(H,32,36)(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318868 (N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318917 (N-(3-(2-((2,3-difluoro-4-(4-methylpiperazin-1-yl)p...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1F Show InChI InChI=1S/C28H26F2N6O/c1-3-24(37)32-20-8-4-6-18(16-20)21-9-5-7-19-17-31-28(34-27(19)21)33-22-10-11-23(26(30)25(22)29)36-14-12-35(2)13-15-36/h3-11,16-17H,1,12-15H2,2H3,(H,32,37)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318895 (N-(3-(2-((4-((1-(2-hydroxyethyl)azetidin-3-yl)amin...) Show SMILES OCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H28N6O2/c1-2-26(36)31-23-7-3-5-19(15-23)25-8-4-6-20-16-29-28(33-27(20)25)32-22-11-9-21(10-12-22)30-24-17-34(18-24)13-14-35/h2-12,15-16,24,30,35H,1,13-14,17-18H2,(H,31,36)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318873 (N-(3-(2-((2-fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-8-4-6-19(16-21)23-9-5-7-20-18-30-28(33-27(20)23)32-25-11-10-22(17-24(25)29)35-14-12-34(2)13-15-35/h3-11,16-18H,1,12-15H2,2H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318892 (5-((8-(3-acrylamidophenyl)quinazolin-2-yl)amino)-2...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1C(N)=O Show InChI InChI=1S/C29H29N7O2/c1-3-26(37)32-21-8-4-6-19(16-21)23-9-5-7-20-18-31-29(34-27(20)23)33-22-10-11-25(24(17-22)28(30)38)36-14-12-35(2)13-15-36/h3-11,16-18H,1,12-15H2,2H3,(H2,30,38)(H,32,37)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318869 (N-(3-(2-((4-(4-acetylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H28N6O2/c1-3-27(37)31-24-8-4-6-21(18-24)26-9-5-7-22-19-30-29(33-28(22)26)32-23-10-12-25(13-11-23)35-16-14-34(15-17-35)20(2)36/h3-13,18-19H,1,14-17H2,2H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318898 (N-(3-(2-((4-(4-methyl-2-oxopiperazin-1-yl)phenyl)a...) Show SMILES CN1CCN(C(=O)C1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H26N6O2/c1-3-25(35)30-22-8-4-6-19(16-22)24-9-5-7-20-17-29-28(32-27(20)24)31-21-10-12-23(13-11-21)34-15-14-33(2)18-26(34)36/h3-13,16-17H,1,14-15,18H2,2H3,(H,30,35)(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	>500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318899 (N-(3-(2-((4-(2-methoxyethoxy)phenyl)amino)quinazol...) Show SMILES COCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H24N4O3/c1-3-24(31)28-21-8-4-6-18(16-21)23-9-5-7-19-17-27-26(30-25(19)23)29-20-10-12-22(13-11-20)33-15-14-32-2/h3-13,16-17H,1,14-15H2,2H3,(H,28,31)(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	>500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G7W
					More data for this Ligand-Target Pair