Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50333378'   

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))	BDBM50333378 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1 Show InChI InChI=1S/C18H21FN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair