Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50479533'   

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))	BDBM50479533 (CHEMBL460728) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
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