Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50206447'   

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))	BDBM50206447 (CHEMBL3946537) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1 Show InChI InChI=1S/C27H26N4O5S/c1-27(2,3)18-7-10-21(11-8-18)37(35,36)31-20-9-12-23-22(16-20)26(30-29-23)17-5-4-6-19(15-17)28-24(32)13-14-25(33)34/h4-16,31H,1-3H3,(H,28,32)(H,29,30)(H,33,34)/b14-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
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