Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM31876'   

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))	BDBM31876 (2,4-Bisanilinopyrimidine, 42) Show SMILES COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1 Show InChI InChI=1S/C24H20FN5O3/c1-33-20-12-8-17(9-13-20)28-23(32)15-2-4-16(5-3-15)27-22-21(25)14-26-24(30-22)29-18-6-10-19(31)11-7-18/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 52: 3300-7 (2009) Article DOI: 10.1021/jm9000314 BindingDB Entry DOI: 10.7270/Q2M90706
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