Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50278649'   

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))	BDBM50278649 (CHEMBL513208 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...) Show SMILES CN(C)Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 Show InChI InChI=1S/C20H18ClFN6S/c1-28(2)10-12-3-5-13(6-4-12)26-20-27-19-17(29-20)18(23-11-24-19)25-14-7-8-16(22)15(21)9-14/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26,27)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Bioorg Med Chem Lett 19: 2333-7 (2009) Article DOI: 10.1016/j.bmcl.2009.02.067 BindingDB Entry DOI: 10.7270/Q23X86H3
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