Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50335327'   

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))	BDBM50335327 (2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylami...) Show SMILES COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1 Show InChI InChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora B by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
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