Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50315838'   

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))	BDBM50315838 (CHEMBL1091231 | N-(6-methyl-3-(3-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1 Show InChI InChI=1S/C28H31N5OS/c1-20-15-27-24(18-26(20)29-28(34)17-23-7-4-14-35-23)25(30-31-27)9-8-21-5-3-6-22(16-21)19-33-12-10-32(2)11-13-33/h3-9,14-16,18H,10-13,17,19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+	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	79	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
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