Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50382029'   

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))	BDBM50382029 (CHEMBL2023302) Show SMILES COc1ccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cc1 Show InChI InChI=1S/C30H35N9O2S/c1-20-5-4-10-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-26(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-6-8-25(41-3)9-7-22/h6-9,11,13-14,16-17,20H,4-5,10,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
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