Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50376005'   

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))	BDBM50376005 (CHEMBL271188) Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12 Show InChI InChI=1S/C25H24N2O5/c1-29-12-11-27-25(28)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-10-26-21-15-24(31-3)23(30-2)14-20(21)22/h4-10,13-15H,11-12H2,1-3H3,(H,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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 51: 1668-80 (2008) Article DOI: 10.1021/jm701098w BindingDB Entry DOI: 10.7270/Q2F47Q0C
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