Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50116788'   

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))	BDBM50116788 (CHEMBL3612581) Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5ccc(OC)cc5)c(Cl)c4)ncnc3cc2oc1=O Show InChI InChI=1S/C29H27ClN4O6/c1-3-38-27(35)5-4-12-34-24-14-21-23(15-26(24)40-29(34)36)31-17-32-28(21)33-19-8-11-25(22(30)13-19)39-16-18-6-9-20(37-2)10-7-18/h6-11,13-15,17H,3-5,12,16H2,1-2H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA				Eur J Med Chem 101: 462-75 (2015) Article DOI: 10.1016/j.ejmech.2015.07.008 BindingDB Entry DOI: 10.7270/Q21V5GSJ
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