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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 = 'BDBM116555'   
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))
BDBM116555
PNG
(US8637532, 246)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(C)C(F)=C2)c1
Show InChI InChI=1S/C25H24FN5O2/c1-14-9-10-17(12-21(14)26)25(33)31-18-6-3-5-16(11-18)15(2)30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24/h3-8,10-15H,9H2,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 0.0900n/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