Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50372018'   

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))	BDBM50372018 (CHEMBL255808) Show SMILES CC(=O)Nc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1 Show InChI InChI=1S/C21H17N5O4/c1-12(27)22-14-5-2-4-13(8-14)10-25-11-15-19(21(25)29)23-18-9-16(17-6-3-7-30-17)24-26(18)20(15)28/h2-9,24H,10-11H2,1H3,(H,22,27)	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	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
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