Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50437509'   

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))	BDBM50437509 (CHEMBL2409775) Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1 Show InChI InChI=1S/C22H21N7O3/c1-13-10-18(28(2)26-13)21(31)23-15-4-3-5-16(11-15)32-17-8-9-19-24-22(27-29(19)12-17)25-20(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,27,30)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin) in presence of [gamma-33P]-ATP				Bioorg Med Chem 21: 4714-29 (2013) Article DOI: 10.1016/j.bmc.2013.04.042 BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
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