Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50383289'   

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))	BDBM50383289 (CHEMBL2029434) Show SMILES COc1cc(ccc1Nc1ncc2CN(C(C)C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H36N8O3/c1-6-27(39)32-22-8-7-9-24(16-22)38-28-21(19-37(20(2)3)30(38)40)18-31-29(34-28)33-25-11-10-23(17-26(25)41-5)36-14-12-35(4)13-15-36/h6-11,16-18,20H,1,12-15,19H2,2-5H3,(H,32,39)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR after 1.5 hr by FRET assay				J Med Chem 55: 2711-23 (2012) Article DOI: 10.1021/jm201591k BindingDB Entry DOI: 10.7270/Q2K938JM
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