Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50052073'   

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))	BDBM50052073 (CHEMBL3322593) Show SMILES CN1CCN(CC1)C(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c1C Show InChI InChI=1S/C33H31FN6O4/c1-18-27(36-19(2)29(18)33(44)40-12-10-39(3)11-13-40)15-24-23-9-8-22(14-28(23)38-31(24)42)37-32(43)26-17-35-16-25(30(26)41)20-4-6-21(34)7-5-20/h4-9,14-17,36H,10-13H2,1-3H3,(H,35,41)(H,37,43)(H,38,42)/b24-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay				Eur J Med Chem 84: 312-34 (2014) Article DOI: 10.1016/j.ejmech.2014.07.033 BindingDB Entry DOI: 10.7270/Q2RV0QB7
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