Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50224751'   

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))	BDBM50224751 (2-(4-(piperidin-2-yl)phenyl)-3H-imidazo[4,5-b]pyri...) Show SMILES C1CCC(NC1)c1ccc(cc1)-c1nc2ncccc2[nH]1 Show InChI InChI=1S/C17H18N4/c1-2-10-18-14(4-1)12-6-8-13(9-7-12)16-20-15-5-3-11-19-17(15)21-16/h3,5-9,11,14,18H,1-2,4,10H2,(H,19,20,21)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 17: 6567-71 (2007) Article DOI: 10.1016/j.bmcl.2007.09.076 BindingDB Entry DOI: 10.7270/Q27D2TVT
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