Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50349007'   

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))	BDBM50349007 (CHEMBL1807472) Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1 Show InChI InChI=1S/C23H28N6O3S/c1-3-33(31,32)27-19-6-4-5-18(15-19)21-16-22(26-25-21)24-23(30)17-7-9-20(10-8-17)29-13-11-28(2)12-14-29/h4-10,15-16,27H,3,11-14H2,1-2H3,(H2,24,25,26,30)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay				Bioorg Med Chem 19: 4173-82 (2011) Article DOI: 10.1016/j.bmc.2011.06.016 BindingDB Entry DOI: 10.7270/Q2CR5TQV
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