Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50434608'   

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))	BDBM50434608 (CHEMBL2386809) Show SMILES Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)cc(n1)N1CCNCC1 Show InChI InChI=1S/C27H34N10O2/c1-17-30-22(15-25(31-17)37-11-9-28-10-12-37)32-23-13-20(34-35-23)19-7-5-18(6-8-19)16-29-26(38)33-24-14-21(39-36-24)27(2,3)4/h5-8,13-15,28H,9-12,16H2,1-4H3,(H2,29,33,36,38)(H2,30,31,32,34,35)	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	710	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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