Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50307780'   

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))	BDBM50307780 (7-(4-(3-Chloro-4-fluorobenzylamino)-7-methoxyquina...) Show SMILES COc1cc2ncnc(NCc3ccc(Cl)c(F)c3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C23H26ClFN4O4/c1-32-20-12-19-16(11-21(20)33-9-5-3-2-4-6-22(30)29-31)23(28-14-27-19)26-13-15-7-8-17(24)18(25)10-15/h7-8,10-12,14,31H,2-6,9,13H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
Curis Inc Curated by ChEMBL					Assay Description Inhibition of HER2				J Med Chem 53: 2000-9 (2010) Article DOI: 10.1021/jm901453q BindingDB Entry DOI: 10.7270/Q2CR5TGQ
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