Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50401419'   

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))	BDBM50401419 (CHEMBL2207507) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2nccn2C)no1 Show InChI InChI=1S/C19H21ClN8O/c1-12-9-13(25-29-12)11-27-5-7-28(8-6-27)16-14(20)10-22-17-15(16)23-18(24-17)19-21-3-4-26(19)2/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,23,24)	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	564	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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