Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50179496'   

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))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair