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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 26311   
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))
BDBM26311
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
Show InChI InChI=1S/C22H18F3N5OS/c23-22(24,25)15-2-1-3-17(12-15)30-21(31)29-16-6-4-14(5-7-16)8-10-26-20-19-18(9-11-32-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,26,27,28)(H2,29,30,31)
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora kinase A


(Mus musculus (mouse))
BDBM26311
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
Show InChI InChI=1S/C22H18F3N5OS/c23-22(24,25)15-2-1-3-17(12-15)30-21(31)29-16-6-4-14(5-7-16)8-10-26-20-19-18(9-11-32-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,26,27,28)(H2,29,30,31)
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UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair