Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50179499'   

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))	BDBM50179499 (CHEMBL3814816) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1 Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)	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	5.10	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))	BDBM50179499 (CHEMBL3814816) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1 Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	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))	BDBM50179499 (CHEMBL3814816) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1 Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)	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	66	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