Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50053261'   

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))	BDBM50053261 (CHEMBL3322933) Show SMILES COc1cc(OC)cc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C23H19ClN4O4/c1-31-18-8-14(9-19(12-18)32-2)21-13-28(27-26-21)17-6-7-22(29)20(11-17)23(30)25-16-5-3-4-15(24)10-16/h3-13,29H,1-2H3,(H,25,30)	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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs				Bioorg Med Chem 22: 4855-66 (2014) Article DOI: 10.1016/j.bmc.2014.06.047 BindingDB Entry DOI: 10.7270/Q2PV6N11
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