Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50095991'   

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))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	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	32	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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