Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM3556'   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
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