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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 = 'BDBM116932'   
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))
BDBM116932
PNG
(US8637532, 659)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C23H17F3N6O2/c24-23(25,26)18-8-7-14(11-28-18)22(34)32-15-4-1-3-13(9-15)10-29-21-17-6-2-5-16(20(27)33)19(17)30-12-31-21/h1-9,11-12H,10H2,(H2,27,33)(H,32,34)(H,29,30,31)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 0.110n/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