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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50348631'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50348631
PNG
(CHEMBL1801109)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair