Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50389251'   

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))	BDBM50389251 (CHEMBL2063458) Show SMILES Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C24H21F3N6O2/c1-33-19-7-3-6-18(20(19)21(28)32-33)22(34)30-17-5-2-4-14(12-17)13-29-23(35)31-16-10-8-15(9-11-16)24(25,26)27/h2-12H,13H2,1H3,(H2,28,32)(H,30,34)(H2,29,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
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