Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318588'   

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))	BDBM50318588 (6-Bromo-2-(4-morpholin-4-ylmethyl-phenyl)-7-(4-pyr...) Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cccnc2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C27H30BrN7O/c28-23-17-30-27-24(25(23)35-10-8-33(9-11-35)19-21-2-1-7-29-16-21)31-26(32-27)22-5-3-20(4-6-22)18-34-12-14-36-15-13-34/h1-7,16-17H,8-15,18-19H2,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
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