Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50434623'   

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))	BDBM50434623 (CHEMBL2386794) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1 Show InChI InChI=1S/C30H36N8O3/c1-30(2,3)25-18-27(36-41-25)33-29(40)31-23-11-9-21(10-12-23)24-17-26(35-34-24)32-28(39)22-7-5-20(6-8-22)19-38-15-13-37(4)14-16-38/h5-12,17-18H,13-16,19H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)	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	160	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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