Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50389238'   

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 B (Homo sapiens (Human))	BDBM50389238 (CHEMBL2063460) Show SMILES Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12 Show InChI InChI=1S/C22H18F3N7O2/c23-22(24,25)14-4-6-15(7-5-14)31-21(34)27-11-13-2-1-3-16(10-13)30-20(33)17-8-9-32-18(17)19(26)28-12-29-32/h1-10,12H,11H2,(H,30,33)(H2,26,28,29)(H2,27,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B 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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