Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50434613'   

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))	BDBM50434613 (CHEMBL2386804) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C26H29N9O/c1-18-27-23(17-25(28-18)35-14-12-34(2)13-15-35)31-24-16-22(32-33-24)19-8-10-21(11-9-19)30-26(36)29-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,29,30,36)(H2,27,28,31,32,33)	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	500	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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