Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116815'   

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))	BDBM116815 (US8637532, 541) Show SMILES CCOC(=O)c1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1 Show InChI InChI=1S/C22H20N6O3S/c1-2-31-21(30)17-11-25-22(32-17)28-14-6-3-5-13(9-14)10-24-20-16-8-4-7-15(19(23)29)18(16)26-12-27-20/h3-9,11-12H,2,10H2,1H3,(H2,23,29)(H,25,28)(H,24,26,27)	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	0.160	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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