Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50034279   

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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359876 (CHEMBL1929305) Show SMILES Nc1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C15H13N3OS/c16-13-9-5-4-8-12(13)14-17-18-15(19-14)20-10-11-6-2-1-3-7-11/h1-9H,10,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359879 (CHEMBL1929303) Show SMILES Fc1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C15H11FN2OS/c16-13-9-5-4-8-12(13)14-17-18-15(19-14)20-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359878 (CHEMBL1440725) Show SMILES Cc1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C16H14N2OS/c1-12-7-5-6-10-14(12)15-17-18-16(19-15)20-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359873 (CHEMBL1929308) Show SMILES CC(C)(C)c1ccc(cc1)-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C19H20N2OS/c1-19(2,3)16-11-9-15(10-12-16)17-20-21-18(22-17)23-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359874 (CHEMBL1929307) Show SMILES COc1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C16H14N2O2S/c1-19-14-10-6-5-9-13(14)15-17-18-16(20-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359880 (CHEMBL1929302) Show SMILES C(Sc1nnc(o1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H12N2OS/c1-3-7-12(8-4-1)11-19-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359881 (CHEMBL1929314) Show SMILES COc1cc(OC)cc(c1)-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C17H16N2O3S/c1-20-14-8-13(9-15(10-14)21-2)16-18-19-17(22-16)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359872 (CHEMBL1929312) Show SMILES Cc1ccc(-c2nnc(SCc3ccccc3)o2)c(O)c1 Show InChI InChI=1S/C16H14N2O2S/c1-11-7-8-13(14(19)9-11)15-17-18-16(20-15)21-10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359877 (CHEMBL1929304) Show SMILES [O-][N+](=O)c1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C15H11N3O3S/c19-18(20)13-9-5-4-8-12(13)14-16-17-15(21-14)22-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50359875 (CHEMBL1929306) Show SMILES CCOc1ccccc1-c1nnc(SCc2ccccc2)o1 Show InChI InChI=1S/C17H16N2O2S/c1-2-20-15-11-7-6-10-14(15)16-18-19-17(21-16)22-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs b...				Eur J Med Chem 47: 473-8 (2012) Article DOI: 10.1016/j.ejmech.2011.11.015 BindingDB Entry DOI: 10.7270/Q2Q240P9
					More data for this Ligand-Target Pair