Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50324278'   

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))	BDBM50324278 ((Z)-N-[3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,...) Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9| Show InChI InChI=1S/C30H34N4O4S/c1-3-34(4-2)17-9-12-22-27(31-26-13-8-14-28(35)29(22)26)19-24-23-18-20(15-16-25(23)32-30(24)36)33-39(37,38)21-10-6-5-7-11-21/h5-7,10-11,15-16,18-19,31,33H,3-4,8-9,12-14,17H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	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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