Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM14197'   

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 (Mus musculus (mouse))	BDBM14197 (7-(3-methanesulfonylphenyl)-N-[4-(4-methylpiperazi...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
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