Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50315836'   

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))	BDBM50315836 (CHEMBL1091233 | N-(4-methyl-3-(3-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1 Show InChI InChI=1S/C28H31N5OS/c1-20-24(29-27(34)18-23-7-4-16-35-23)10-11-26-28(20)25(30-31-26)9-8-21-5-3-6-22(17-21)19-33-14-12-32(2)13-15-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(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	1.90E+3	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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