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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50389243   
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 B


(Homo sapiens (Human))
BDBM50389243
PNG
(CHEMBL2063456)
Show SMILES Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
Show InChI InChI=1S/C22H18F2N6O2/c23-16-8-7-14(10-17(16)24)28-22(32)26-11-12-3-1-4-13(9-12)27-21(31)15-5-2-6-18-19(15)20(25)30-29-18/h1-10H,11H2,(H,27,31)(H3,25,29,30)(H2,26,28,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.125
BindingDB Entry DOI: 10.7270/Q2T154RT
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389243
PNG
(CHEMBL2063456)
Show SMILES Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
Show InChI InChI=1S/C22H18F2N6O2/c23-16-8-7-14(10-17(16)24)28-22(32)26-11-12-3-1-4-13(9-12)27-21(31)15-5-2-6-18-19(15)20(25)30-29-18/h1-10H,11H2,(H,27,31)(H3,25,29,30)(H2,26,28,32)
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UniChem

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Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.125
BindingDB Entry DOI: 10.7270/Q2T154RT
More data for this
Ligand-Target Pair