Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM24712'   

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))	BDBM24712 (5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-...) Show SMILES CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1 Show InChI InChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
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