Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50389966'   

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))	BDBM50389966 (CHEMBL2071206) Show SMILES CNC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F |r,c:8| Show InChI InChI=1S/C18H20F3N7O/c1-22-16(29)13-9-3-4-10(5-9)14(13)26-15-12(18(19,20)21)7-23-17(27-15)25-11-6-24-28(2)8-11/h3-4,6-10,13-14H,5H2,1-2H3,(H,22,29)(H2,23,25,26,27)/t9-,10+,13+,14-/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	45	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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