Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM26288'   

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))	BDBM26288 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1 Show InChI InChI=1S/C30H35F2N7O4/c1-42-25-16-21-24(17-26(25)43-13-3-9-39-10-6-19(7-11-39)8-12-40)33-18-34-30(21)36-27-14-20(37-38-27)15-28(41)35-23-5-2-4-22(31)29(23)32/h2,4-5,14,16-19,40H,3,6-13,15H2,1H3,(H,35,41)(H2,33,34,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	-37.4	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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