Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50116330'   

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))	BDBM50116330 (CHEMBL3612597) Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(cc4)C(=O)OCc4ccc(cc4)C#N)ncnc3cc2oc1=O Show InChI InChI=1S/C30H25N5O6/c1-2-39-27(36)4-3-13-35-25-14-23-24(15-26(25)41-30(35)38)32-18-33-28(23)34-22-11-9-21(10-12-22)29(37)40-17-20-7-5-19(16-31)6-8-20/h5-12,14-15,18H,2-4,13,17H2,1H3,(H,32,33,34)	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	>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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