Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50446466'   

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))	BDBM50446466 (CHEMBL3109960) Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn(C)nc2C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C20H18F3N5O2/c1-28-10-13(19(27-28)20(21,22)23)16-6-11-9-24-18(8-15(11)25-16)26-14-5-4-12(29-2)7-17(14)30-3/h4-10,25H,1-3H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay				J Med Chem 56: 10045-65 (2013) Article DOI: 10.1021/jm401395s BindingDB Entry DOI: 10.7270/Q2JM2C4W
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