Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50409737'   

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))	BDBM50409737 (CHEMBL1161236) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#16]-[#6]-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C13H10N2O4S/c1-19-10-3-8(2-9(5-14)6-15)4-11(13(10)18)20-7-12(16)17/h2-4,18H,7H2,1H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair