Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035422   

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))	BDBM50141149 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141149 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122567 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-20-19(12-18)22(15(13-24)14-25-20)27-17-6-3-5-16(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122573 (But-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-...) Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-10,12H,1H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122573 (But-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-...) Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-10,12H,1H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141146 (But-2-ynoic acid [5-(3-chloro-4-fluoro-phenylamino...) Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H11ClFN5O/c1-2-3-17(27)25-13-6-14-18(11(8-22)9-23-19(14)24-10-13)26-12-4-5-16(21)15(20)7-12/h4-7,9-10H,1H3,(H,25,27)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141146 (But-2-ynoic acid [5-(3-chloro-4-fluoro-phenylamino...) Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H11ClFN5O/c1-2-3-17(27)25-13-6-14-18(11(8-22)9-23-19(14)24-10-13)26-12-4-5-16(21)15(20)7-12/h4-7,9-10H,1H3,(H,25,27)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141151 (But-2-ynoic acid [5-(3-bromo-phenylamino)-6-cyano-...) Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C19H12BrN5O/c1-2-4-17(26)24-15-8-16-18(25-14-6-3-5-13(20)7-14)12(9-21)10-22-19(16)23-11-15/h3,5-8,10-11H,1H3,(H,24,26)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141150 (4-(3-Chloro-4-fluoro-phenylamino)-6-(2-dimethylami...) Show SMILES CN(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C19H17ClFN5O/c1-26(2)5-6-27-18-8-14-17(11-24-18)23-10-12(9-22)19(14)25-13-3-4-16(21)15(20)7-13/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor				Bioorg Med Chem Lett 14: 1411-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC
					More data for this Ligand-Target Pair