Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50349008'   

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))	BDBM50349008 (CHEMBL1807473) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1 Show InChI InChI=1S/C24H30N6O3S/c1-3-15-34(32,33)28-20-6-4-5-19(16-20)22-17-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(2)12-14-30/h4-10,16-17,28H,3,11-15H2,1-2H3,(H2,25,26,27,31)	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	1.64E+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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