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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 = 'BDBM50245442'   
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))
BDBM50245442
PNG
(3-fluorobenzyl 4-amino-6-(4-(benzyloxy)-3-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
BindingDB Entry DOI: 10.7270/Q2NS0TPB
More data for this
Ligand-Target Pair