Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50401426'   

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))	BDBM50401426 (CHEMBL2203771) Show SMILES CN1CCN(CC1)c1ccc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)c(F)c1 Show InChI InChI=1S/C26H30ClFN8O/c1-17-13-18(32-37-17)16-34-7-11-36(12-8-34)24-21(27)15-29-26-23(24)30-25(31-26)20-4-3-19(14-22(20)28)35-9-5-33(2)6-10-35/h3-4,13-15H,5-12,16H2,1-2H3,(H,29,30,31)	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	87	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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