Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50382006'   

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))	BDBM50382006 (CHEMBL2023292) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1 Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50382006 (CHEMBL2023292) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1 Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	887	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair