Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330561'   

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))	BDBM50330561 (4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human purified recombinant aurora-A kinase				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
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