Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50324272'   

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 B (Homo sapiens (Human))	BDBM50324272 ((Z)-N-[2-Oxo-3-({4-oxo-3-[3-oxo-3-(pyrrolidin-1-yl...) Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5| Show InChI InChI=1S/C30H30N4O5S/c35-27-10-6-9-25-29(27)21(12-14-28(36)34-15-4-5-16-34)26(31-25)18-23-22-17-19(11-13-24(22)32-30(23)37)33-40(38,39)20-7-2-1-3-8-20/h1-3,7-8,11,13,17-18,31,33H,4-6,9-10,12,14-16H2,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	719	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora B				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
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