Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50328431'   

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))	BDBM50328431 (4-methoxy-N-(3-(8-(4-methoxyphenylamino)imidazo[1,...) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C26H23N5O4S/c1-34-21-8-6-19(7-9-21)28-25-26-27-14-15-31(26)17-24(29-25)18-4-3-5-20(16-18)30-36(32,33)23-12-10-22(35-2)11-13-23/h3-17,30H,1-2H3,(H,28,29)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human aurora A				Bioorg Med Chem Lett 20: 5988-93 (2010) Article DOI: 10.1016/j.bmcl.2010.08.091 BindingDB Entry DOI: 10.7270/Q2H995D7
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