Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM26280'   

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))	BDBM26280 (2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H34N8O6/c1-42-25-15-23-24(16-26(25)43-11-3-8-36-9-6-19(17-38)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(12-20)37(40)41/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	890	-34.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
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