Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50389258'   

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))	BDBM50389258 (CHEMBL2063462) Show SMILES Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12 Show InChI InChI=1S/C21H18FN7O2/c22-14-4-2-6-16(10-14)28-21(31)24-11-13-3-1-5-15(9-13)27-20(30)17-7-8-29-18(17)19(23)25-12-26-29/h1-10,12H,11H2,(H,27,30)(H2,23,25,26)(H2,24,28,31)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
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