Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50053256'   

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))	BDBM50053256 (CHEMBL3330136) Show SMILES O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |(23.44,-23.73,;22.09,-23,;20.77,-23.8,;19.42,-23.07,;17.97,-23.59,;17.03,-22.37,;17.9,-21.1,;19.38,-21.53,;20.69,-20.72,;20.64,-19.19,;19.29,-18.45,;19.25,-16.91,;17.89,-16.18,;16.58,-16.99,;16.62,-18.53,;17.98,-19.26,;19.02,-17.66,;17.48,-17.66,;22.04,-21.46,;23.35,-20.65,;23.47,-19.11,;24.97,-18.75,;25.7,-17.4,;27.24,-17.35,;28.05,-18.66,;27.32,-20.02,;25.78,-20.06,;24.78,-21.24,)| Show InChI InChI=1S/C21H21N5OS/c27-20-17(19-23-14-3-1-2-4-15(14)24-19)18(13-7-10-28-21(13)25-20)22-16-11-26-8-5-12(16)6-9-26/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,23,24)(H2,22,25,27)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay				Bioorg Med Chem 22: 4882-92 (2014) Article DOI: 10.1016/j.bmc.2014.06.044 BindingDB Entry DOI: 10.7270/Q2TM7CRB
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