Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50444595'   

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))	BDBM50444595 (CHEMBL563560) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCn3ccnc3)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H19N7O2/c1-29-13-17(15-5-2-3-7-18(15)29)19-20(24(33)27-23(19)32)21-16-6-4-8-26-22(16)31(28-21)12-11-30-10-9-25-14-30/h2-10,13-14H,11-12H2,1H3,(H,27,32,33)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant aurora kinase A (unknown origin) expressed in Escherichia coli				Eur J Med Chem 68: 361-71 (2013) Article DOI: 10.1016/j.ejmech.2013.07.046 BindingDB Entry DOI: 10.7270/Q25140P0
					More data for this Ligand-Target Pair