Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50224755'   

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))	BDBM50224755 (6,7-dimethoxy-4-(4-(2-phenoxyethyl)piperazin-1-yl)...) Show SMILES COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1OC Show InChI InChI=1S/C22H26N4O3/c1-27-20-14-18-19(15-21(20)28-2)23-16-24-22(18)26-10-8-25(9-11-26)12-13-29-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3	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	3.50E+4	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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