Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116803'   

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))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	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	0.120	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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