Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50435021'   

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))	BDBM50435021 (CHEMBL2391128) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C23H17N3O5S/c27-26(28)19-3-1-2-17(12-19)16-6-4-15(5-7-16)14-32-23-25-24-22(31-23)18-8-9-20-21(13-18)30-11-10-29-20/h1-9,12-13H,10-11,14H2	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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