Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50460786'   

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))	BDBM50460786 (CHEMBL4227557) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CN4CCCCC4)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N9S/c1-17-15-34-22(18-12-27-28-13-18)14-26-25(34)24(29-17)31-23-11-21(32-35-23)10-19-6-5-7-20(30-19)16-33-8-3-2-4-9-33/h5-7,11-15H,2-4,8-10,16H2,1H3,(H,27,28)(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<13	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50460786 (CHEMBL4227557) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CN4CCCCC4)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N9S/c1-17-15-34-22(18-12-27-28-13-18)14-26-25(34)24(29-17)31-23-11-21(32-35-23)10-19-6-5-7-20(30-19)16-33-8-3-2-4-9-33/h5-7,11-15H,2-4,8-10,16H2,1H3,(H,27,28)(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as reduction in phosphorylation of Histone H3 at Ser10 residue incubated for 1 hr by Hoechst 33...				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair