Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50264578'   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50264578 (7-(5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)iso...) Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12 Show InChI InChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	179	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 Aurora A (unknown origin)				Bioorg Med Chem Lett 18: 5130-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.090 BindingDB Entry DOI: 10.7270/Q2RF5TVZ
					More data for this Ligand-Target Pair