Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50435019'   

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))	BDBM50435019 (CHEMBL2391125) Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C25H19N3O4S/c1-29-20-7-8-21(19(12-20)14-26)17-4-2-16(3-5-17)15-33-25-28-27-24(32-25)18-6-9-22-23(13-18)31-11-10-30-22/h2-9,12-13H,10-11,15H2,1H3	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant AURKA by FRET assay				Eur J Med Chem 61: 26-40 (2013) Article DOI: 10.1016/j.ejmech.2012.06.006 BindingDB Entry DOI: 10.7270/Q2KD209T
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