Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50245472'   

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))	BDBM50245472 (CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...) Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1 Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
					More data for this Ligand-Target Pair