Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM387194'   

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))	BDBM387194 (5-((5-chloro-2-((1-(2-hydroxypropyl)-1H-pyrazol-4-...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C20H29ClN8O3S/c1-12(30)8-28-11-17(6-23-28)25-20-22-7-18(21)19(26-20)24-16-4-13-9-29(10-14(13)5-16)33(31,32)27-15-2-3-15/h6-7,11-16,27,30H,2-5,8-10H2,1H3,(H2,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
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