Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50117656'   

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))	BDBM50117656 (CHEMBL3613695) Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccc(Br)cc1)C(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17BrClN3O2/c26-17-5-9-19(10-6-17)30-24-20-13-16(4-11-22(20)29-14-21(24)25(28)32)23(31)12-3-15-1-7-18(27)8-2-15/h1-14H,(H2,28,32)(H,29,30)/b12-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay				Eur J Med Chem 102: 115-31 (2015) Article DOI: 10.1016/j.ejmech.2015.07.030 BindingDB Entry DOI: 10.7270/Q2JQ12TS
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