Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50117319'   

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))	BDBM50117319 (4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor				J Med Chem 45: 3772-93 (2002) BindingDB Entry DOI: 10.7270/Q2WW7JD9
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