Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50434610'   

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))	BDBM50434610 (CHEMBL2386807) Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1 Show InChI InChI=1S/C26H32N10O3/c1-17-13-24(34-39-17)31-26(38)27-16-19-3-5-20(6-4-19)21-14-23(33-32-21)30-22-15-25(29-18(2)28-22)36-9-7-35(8-10-36)11-12-37/h3-6,13-15,37H,7-12,16H2,1-2H3,(H2,27,31,34,38)(H2,28,29,30,32,33)	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	98	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged Aurora A kinase (123 to 401) (unknown origin) transfected in insect sf9 cells after 90 mins by wallac counting a...				Bioorg Med Chem 21: 2856-67 (2013) Article DOI: 10.1016/j.bmc.2013.03.083 BindingDB Entry DOI: 10.7270/Q22N53NF
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