Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50324279'   

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))	BDBM50324279 ((Z)-3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6,7-...) Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7| Show InChI InChI=1S/C30H32N4O4S/c1-33(2)15-6-8-21-26(31-25-9-5-11-28(35)29(21)25)18-23-22-17-20(12-13-24(22)32-30(23)36)39(37,38)34-16-14-19-7-3-4-10-27(19)34/h3-4,7,10,12-13,17-18,31H,5-6,8-9,11,14-16H2,1-2H3,(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	312	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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