Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50192281'   

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))	BDBM50192281 (3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)prop...) Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1 Show InChI InChI=1S/C28H30ClN7O3/c1-38-24-14-22-23(15-25(24)39-12-6-11-36-9-3-2-4-10-36)32-18-33-26(22)34-21-16-30-28(31-17-21)35-27(37)19-7-5-8-20(29)13-19/h5,7-8,13-18H,2-4,6,9-12H2,1H3,(H,32,33,34)(H,30,31,35,37)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 49: 4805-8 (2006) Article DOI: 10.1021/jm060522a BindingDB Entry DOI: 10.7270/Q2QZ29KW
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