Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50179493'   

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))	BDBM50179493 (CHEMBL3814694) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	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	3.70	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))	BDBM50179493 (CHEMBL3814694) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	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	80	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179493 (CHEMBL3814694) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	154	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