Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50318166'   

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))	BDBM50318166 (CHEMBL1096415 | N-[4-fluoro-3-(trifluoromethyl)phe...) Show SMILES Fc1ccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)cc1C(F)(F)F Show InChI InChI=1S/C21H16F4N4/c22-18-9-8-15(11-17(18)21(23,24)25)29-20-16-10-14(28-19(16)26-12-27-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 20: 3177-81 (2010) Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z
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