Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50096123'   

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))	BDBM50096123 (CHEMBL3593287) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1 Show InChI InChI=1S/C24H27N9O2S/c1-15-12-21(31-35-15)29-23(34)28-18-6-4-17(5-7-18)19-14-25-24(36-19)30-20-13-22(27-16(2)26-20)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27,30)(H2,28,29,31,34)	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	56	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
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