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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 = 'BDBM50293685'   
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))
BDBM50293685
PNG
(2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...)
Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC
Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)
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Article
PubMed
120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair