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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 = 'BDBM50348642'   
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))
BDBM50348642
PNG
(CHEMBL1801132)
Show SMILES CN(C)CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)
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Article
PubMed
n/an/a 81n/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