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PubMed code 18207396

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 450n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50206422
PNG
(3-(4-fluorophenyl)-4-(pyridin-4-yl)quinolin-2(1H)-...)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccncc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)19-18(14-9-11-22-12-10-14)16-3-1-2-4-17(16)23-20(19)24/h1-12H,(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50206423
PNG
(4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)pyr...)
Show SMILES CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)16-15(12-7-9-19-10-8-12)17(21-20-16)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50232725
PNG
(1-ethyl-3-(4-fluorophenyl)-4-(pyridin-4-yl)quinoli...)
Show SMILES CCn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H17FN2O/c1-2-25-19-6-4-3-5-18(19)20(16-11-13-24-14-12-16)21(22(25)26)15-7-9-17(23)10-8-15/h3-14H,2H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50232724
PNG
(3-(4-fluorophenyl)-1-(prop-1-ynyl)-4-(pyridin-4-yl...)
Show SMILES CC#Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H15FN2O/c1-2-15-26-20-6-4-3-5-19(20)21(17-11-13-25-14-12-17)22(23(26)27)16-7-9-18(24)10-8-16/h3-14H,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50206423
PNG
(4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)pyr...)
Show SMILES CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)16-15(12-7-9-19-10-8-12)17(21-20-16)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50232726
PNG
(3-(4-fluorophenyl)-1-methyl-4-(pyridin-4-yl)quinol...)
Show SMILES Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C21H15FN2O/c1-24-18-5-3-2-4-17(18)19(15-10-12-23-13-11-15)20(21(24)25)14-6-8-16(22)9-7-14/h2-13H,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50232723
PNG
(4-(pyridin-4-yl)-3-o-tolylquinolin-2(1H)-one | CHE...)
Show SMILES Cc1ccccc1-c1c(-c2ccncc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H16N2O/c1-14-6-2-3-7-16(14)20-19(15-10-12-22-13-11-15)17-8-4-5-9-18(17)23-21(20)24/h2-13H,1H3,(H,23,24)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%