Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50352313'   

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))	BDBM50352313 (CHEMBL1822493) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCOCC4)cc3)nn3cccc23)n[nH]1 Show InChI InChI=1S/C22H24N8O2S/c1-15-13-19(27-26-15)24-21-18-3-2-8-30(18)28-22(25-21)33-17-6-4-16(5-7-17)23-20(31)14-29-9-11-32-12-10-29/h2-8,13H,9-12,14H2,1H3,(H,23,31)(H2,24,25,26,27,28)	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	n/a	85	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
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