Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50224748'   

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))	BDBM50224748 (6,7-dimethoxy-4-(4-(naphthalen-1-ylmethyl)piperazi...) Show SMILES COc1cc2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC Show InChI InChI=1S/C25H26N4O2/c1-30-23-14-21-22(15-24(23)31-2)26-17-27-25(21)29-12-10-28(11-13-29)16-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,14-15,17H,10-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 17: 6567-71 (2007) Article DOI: 10.1016/j.bmcl.2007.09.076 BindingDB Entry DOI: 10.7270/Q27D2TVT
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