Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50307771'   

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))	BDBM50307771 (5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H20ClFN4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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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