Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50348632'   

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))	BDBM50348632 (CHEMBL1801110) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(Nc2nccn3c(cnc23)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C19H19N7O3S/c27-30(28,25-7-9-29-10-8-25)16-3-1-15(2-4-16)24-18-19-21-13-17(14-11-22-23-12-14)26(19)6-5-20-18/h1-6,11-13H,7-10H2,(H,20,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
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