Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50389979'   

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))	BDBM50389979 (CHEMBL2071207) Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NC3CC3)n2)C(F)(F)F)cn1 |r,c:15| Show InChI InChI=1S/C20H22F3N7O/c1-30-9-13(7-25-30)27-19-24-8-14(20(21,22)23)17(29-19)28-16-11-3-2-10(6-11)15(16)18(31)26-12-4-5-12/h2-3,7-12,15-16H,4-6H2,1H3,(H,26,31)(H2,24,27,28,29)/t10-,11+,15+,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
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