Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50383295'   

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))	BDBM50383295 (CHEMBL2029441) Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc(OCc2ccccc2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C40H40N8O4/c1-4-37(49)42-30-11-8-12-33(23-30)48-38-29(26-47(40(48)50)31-13-16-34(17-14-31)52-27-28-9-6-5-7-10-28)25-41-39(44-38)43-35-18-15-32(24-36(35)51-3)46-21-19-45(2)20-22-46/h4-18,23-25H,1,19-22,26-27H2,2-3H3,(H,42,49)(H,41,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67	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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