Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50000300   

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	76	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245703 (CHEMBL4103440) Show SMILES COc1ccc(cc1)-c1nnc(s1)-n1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O2S/c1-30-17-10-7-15(8-11-17)21-26-27-23(31-21)28-20(14-5-3-2-4-6-14)25-19-13-16(24)9-12-18(19)22(28)29/h2-13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245700 (CHEMBL4077349) Show SMILES Brc1ccc(cc1)C(=O)Nn1c(nc2ccccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C21H14BrN3O2/c22-16-12-10-15(11-13-16)20(26)24-25-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21(25)27/h1-13H,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245705 (CHEMBL4079183) Show SMILES Clc1ccc2c(c1)nc(-c1ccccc1)n(-c1nnc(s1)C1CC1)c2=O Show InChI InChI=1S/C19H13ClN4OS/c20-13-8-9-14-15(10-13)21-16(11-4-2-1-3-5-11)24(18(14)25)19-23-22-17(26-19)12-6-7-12/h1-5,8-10,12H,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245702 (CHEMBL4060821) Show SMILES Clc1ccc2c(c1)nc(-c1ccccc1)n(-c1nnc(s1)-c1ccccc1)c2=O Show InChI InChI=1S/C22H13ClN4OS/c23-16-11-12-17-18(13-16)24-19(14-7-3-1-4-8-14)27(21(17)28)22-26-25-20(29-22)15-9-5-2-6-10-15/h1-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245707 (CHEMBL4074248) Show SMILES NCCn1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C16H14ClN3O/c17-12-6-7-13-14(10-12)19-15(11-4-2-1-3-5-11)20(9-8-18)16(13)21/h1-7,10H,8-9,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245701 (CHEMBL4083467) Show SMILES Cc1nnc(s1)-n1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C17H11ClN4OS/c1-10-20-21-17(24-10)22-15(11-5-3-2-4-6-11)19-14-9-12(18)7-8-13(14)16(22)23/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245706 (CHEMBL4072392) Show SMILES CC(=O)c1ccccc1-n1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 |(31.48,-28.12,;30.56,-29.35,;29.03,-29.16,;31.17,-30.79,;32.48,-30.02,;33.82,-30.78,;33.83,-32.31,;32.51,-33.08,;31.18,-32.31,;29.86,-33.08,;29.87,-34.64,;28.52,-35.42,;27.18,-34.65,;25.84,-35.42,;24.5,-34.65,;23.17,-35.42,;24.5,-33.1,;25.83,-32.33,;27.17,-33.09,;28.51,-32.31,;28.5,-30.76,;31.2,-35.41,;31.2,-36.95,;32.54,-37.72,;33.87,-36.94,;33.86,-35.39,;32.53,-34.63,)| Show InChI InChI=1S/C22H15ClN2O2/c1-14(26)17-9-5-6-10-20(17)25-21(15-7-3-2-4-8-15)24-19-13-16(23)11-12-18(19)22(25)27/h2-13H,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
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245699 (CHEMBL4083815) Show SMILES Clc1ccccc1-c1nnc(s1)-n1c(nc2ccccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C22H13ClN4OS/c23-17-12-6-4-10-15(17)20-25-26-22(29-20)27-19(14-8-2-1-3-9-14)24-18-13-7-5-11-16(18)21(27)28/h1-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair