Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318598'   

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))	BDBM50318598 (4-((4-(6-Bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-...) Show SMILES CC(C)c1nc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)co1 Show InChI InChI=1S/C28H34BrN7O2/c1-19(2)28-31-22(18-38-28)17-34-7-9-36(10-8-34)25-23(29)15-30-27-24(25)32-26(33-27)21-5-3-20(4-6-21)16-35-11-13-37-14-12-35/h3-6,15,18-19H,7-14,16-17H2,1-2H3,(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
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