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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 = 'BDBM116779'   
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))
BDBM116779
PNG
(US8637532, 496)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C21H16F3N7O2/c22-21(23,24)16-8-15(30-31-16)20(33)29-12-6-4-11(5-7-12)9-26-19-14-3-1-2-13(18(25)32)17(14)27-10-28-19/h1-8,10H,9H2,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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Similars

US Patent
n/an/a 0.0450n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair