Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50208591'   

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))	BDBM50208591 (CHEMBL3885292) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kasetsart University Curated by ChEMBL					Assay Description Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay				Eur J Med Chem 124: 896-905 (2016) Article DOI: 10.1016/j.ejmech.2016.08.055 BindingDB Entry DOI: 10.7270/Q2DF6T6Q
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