Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM116959'   

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))	BDBM116959 (US8637532, 686) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12 Show InChI InChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0890	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
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