Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50169696'   

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))	BDBM50169696 ((4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-f...) Show SMILES Clc1cc(Nc2ncnc3nn4ccccc4c23)ccc1OCc1ccccc1 Show InChI InChI=1S/C22H16ClN5O/c23-17-12-16(9-10-19(17)29-13-15-6-2-1-3-7-15)26-21-20-18-8-4-5-11-28(18)27-22(20)25-14-24-21/h1-12,14H,13H2,(H,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	50	n/a	n/a	n/a	n/a	7.5	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5				Bioorg Med Chem Lett 15: 3778-81 (2005) Article DOI: 10.1016/j.bmcl.2005.05.100 BindingDB Entry DOI: 10.7270/Q2P84BDM
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