Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50333659'   

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))	BDBM50333659 (6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-p...) Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)Nc2ccc(C)cc2C)c2c(n[nH]c2n1)-c1ccccc1 Show InChI InChI=1S/C29H26N4O3/c1-17-10-12-22(18(2)14-17)31-29(34)21-16-23(20-11-13-24(35-3)25(15-20)36-4)30-28-26(21)27(32-33-28)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,31,34)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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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