Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM26275'   

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))	BDBM26275 (N-(4-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-12-2-9-37-10-7-19(17-38)8-11-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-3-20(30)4-6-21/h3-6,13,15-16,18-19,38H,2,7-12,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-32.5	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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