Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50389993'   

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))	BDBM50389993 (CHEMBL2071273) Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:20| Show InChI InChI=1S/C18H21ClN8O2/c1-21-13(28)8-27-7-11(5-23-27)24-18-22-6-12(19)17(26-18)25-15-10-3-2-9(4-10)14(15)16(20)29/h2-3,5-7,9-10,14-15H,4,8H2,1H3,(H2,20,29)(H,21,28)(H2,22,24,25,26)/t9-,10+,14+,15-/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	26	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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