Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50160887'   

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))	BDBM50160887 (CHEMBL3792988) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncccn3)nn2)c1 Show InChI InChI=1S/C23H21N7O4/c1-34-22(33)15-4-2-5-16(12-15)27-21(32)19-13-18(6-7-20(19)31)30-14-17(28-29-30)8-11-26-23-24-9-3-10-25-23/h2-7,9-10,12-14,31H,8,11H2,1H3,(H,27,32)(H,24,25,26)	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	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
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