Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50174688'   

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))	BDBM50174688 (CHEMBL200535 | N-[5-(8-methoxy-10,11-dihydro-5-oxa...) Show SMILES COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)c3NCc2c1 Show InChI InChI=1S/C24H21N7O3/c1-14-3-5-15(6-4-14)22(32)31-24-26-11-17(12-27-24)30-21-20-23(29-13-28-21)34-19-8-7-18(33-2)9-16(19)10-25-20/h3-9,11-13,25H,10H2,1-2H3,(H,28,29,30)(H,26,27,31,32)	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibitory activity against Aurora A kinase				Bioorg Med Chem Lett 15: 5474-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.098 BindingDB Entry DOI: 10.7270/Q2S46RGS
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