Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50333662'   

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))	BDBM50333662 (7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-8-(2-(2-h...) Show SMILES COc1ccc(OCC(O)Cn2c(N=NCc3ccccc3O)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |w:13.12| Show InChI InChI=1S/C23H24N6O6/c1-28-20-19(21(32)26-23(28)33)29(12-15(30)13-35-17-9-7-16(34-2)8-10-17)22(25-20)27-24-11-14-5-3-4-6-18(14)31/h3-10,15,30-31H,11-13H2,1-2H3,(H,26,32,33)	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	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells				Bioorg Med Chem 19: 907-16 (2011) Article DOI: 10.1016/j.bmc.2010.11.064 BindingDB Entry DOI: 10.7270/Q2V40VGC
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