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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116622'   
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 A


(Homo sapiens (Human))
BDBM116622
PNG
(US8637532, 319)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H24BrN5O3/c1-35-13-12-22(32-25-21-7-3-6-20(24(28)33)23(21)29-15-30-25)17-4-2-5-19(14-17)31-26(34)16-8-10-18(27)11-9-16/h2-11,14-15,22H,12-13H2,1H3,(H2,28,33)(H,31,34)(H,29,30,32)
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Similars

US Patent
n/an/a 0.0500n/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