Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50324280'   

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))	BDBM50324280 ((Z)-3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,7-t...) Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:10.9| Show InChI InChI=1S/C32H36N4O4S/c1-3-35(4-2)17-8-10-23-28(33-27-11-7-13-30(37)31(23)27)20-25-24-19-22(14-15-26(24)34-32(25)38)41(39,40)36-18-16-21-9-5-6-12-29(21)36/h5-6,9,12,14-15,19-20,33H,3-4,7-8,10-11,13,16-18H2,1-2H3,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	616	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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