Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50401418'   

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))	BDBM50401418 (CHEMBL2207511) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2csnn2)no1 Show InChI InChI=1S/C17H17BrN8OS/c1-10-6-11(23-27-10)8-25-2-4-26(5-3-25)15-12(18)7-19-17-14(15)20-16(21-17)13-9-28-24-22-13/h6-7,9H,2-5,8H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
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