Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50434612'   

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))	BDBM50434612 (CHEMBL2386805) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(C)on3)cc2)nc(C)n1 Show InChI InChI=1S/C25H30N10O2/c1-16-12-23(33-37-16)30-25(36)26-15-18-4-6-19(7-5-18)20-13-22(32-31-20)29-21-14-24(28-17(2)27-21)35-10-8-34(3)9-11-35/h4-7,12-14H,8-11,15H2,1-3H3,(H2,26,30,33,36)(H2,27,28,29,31,32)	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	320	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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