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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 = 'BDBM116823'   
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))
BDBM116823
PNG
(US8637532, 549)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
Show InChI InChI=1S/C22H17N7O/c23-11-14-7-8-25-19(10-14)29-16-4-1-3-15(9-16)12-26-22-18-6-2-5-17(21(24)30)20(18)27-13-28-22/h1-10,13H,12H2,(H2,24,30)(H,25,29)(H,26,27,28)
PDB

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Similars

US Patent
n/an/a 0.0600n/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