Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116812'   

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 A (Homo sapiens (Human))	BDBM116812 (US8637532, 538) Show SMILES NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(n[nH]4)C4CC4)c3)ncnc12 Show InChI InChI=1S/C25H27N7O3/c26-23(34)17-5-2-6-18-22(17)27-13-28-24(18)30-19(9-10-33)15-3-1-4-16(11-15)29-25(35)21-12-20(31-32-21)14-7-8-14/h1-6,11-14,19,25,29,33,35H,7-10H2,(H2,26,34)(H,31,32)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	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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