Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50333661'   

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))	BDBM50333661 (CHEMBL1643142 | N-(2-cyclohexenylethyl)-2-(4-(6-me...) Show SMILES COc1ccc2cc([nH]c2c1)C(=O)C1CCC(CC1)C(C)C(=O)NCCC1=CCCCC1 |t:29,(-9.77,-30.03,;-9.8,-28.49,;-8.48,-27.7,;-7.13,-28.45,;-5.8,-27.66,;-5.83,-26.11,;-4.7,-25.05,;-5.36,-23.65,;-6.9,-23.84,;-7.19,-25.37,;-8.5,-26.16,;-4.62,-22.3,;-5.42,-20.98,;-3.08,-22.26,;-2.29,-23.58,;-.76,-23.55,;-.01,-22.2,;-.81,-20.88,;-2.35,-20.91,;1.53,-22.17,;2.27,-20.83,;2.32,-23.49,;1.58,-24.84,;3.86,-23.46,;4.66,-24.78,;6.2,-24.75,;6.99,-26.07,;8.53,-26.03,;9.32,-27.36,;8.57,-28.71,;7.03,-28.73,;6.24,-27.41,)| Show InChI InChI=1S/C27H36N2O3/c1-18(27(31)28-15-14-19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(30)25-16-22-12-13-23(32-2)17-24(22)29-25/h6,12-13,16-18,20-21,29H,3-5,7-11,14-15H2,1-2H3,(H,28,31)	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	8.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells				Bioorg Med Chem 19: 907-16 (2011) Article DOI: 10.1016/j.bmc.2010.11.064 BindingDB Entry DOI: 10.7270/Q2V40VGC
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