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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 = 'BDBM50442161'   
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))
BDBM50442161
PNG
(CHEMBL2441278)
Show SMILES NC(=O)C1CCN1c1nc(Cc2ccccc2)cc(Nc2cc(n[nH]2)C2CCC2)n1
Show InChI InChI=1S/C22H25N7O/c23-21(30)18-9-10-29(18)22-24-16(11-14-5-2-1-3-6-14)12-19(26-22)25-20-13-17(27-28-20)15-7-4-8-15/h1-3,5-6,12-13,15,18H,4,7-11H2,(H2,23,30)(H2,24,25,26,27,28)
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PC cid
PC sid
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Article
PubMed
79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin)


ACS Med Chem Lett 4: 948-52 (2013)


Article DOI: 10.1021/ml400206q
BindingDB Entry DOI: 10.7270/Q28P61Z7
More data for this
Ligand-Target Pair