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PubMed code 17323937

Compile data set for download or QSAR
Found 12 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))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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PubMed
n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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PubMed
n/an/a 160n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
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 Tübingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 790n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
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 Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
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 Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
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 Tübingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50114691
PNG
(2-(2-(methylsulfinyl)benzylthio)-5-(4-fluorophenyl...)
Show SMILES CS(=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(n1)-c1ccncc1
Show InChI InChI=1S/C23H18FN3OS2/c1-30(28)21-5-3-2-4-18(21)15-29-23-26-14-20(16-6-8-19(24)9-7-16)22(27-23)17-10-12-25-13-11-17/h2-14H,15H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50206420
PNG
(4-(4-fluorophenyl)-3-pyridin-4-ylquinoline-2(1H)-o...)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccncc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)18-16-3-1-2-4-17(16)23-20(24)19(18)14-9-11-22-12-10-14/h1-12H,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50206420
PNG
(4-(4-fluorophenyl)-3-pyridin-4-ylquinoline-2(1H)-o...)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccncc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)18-16-3-1-2-4-17(16)23-20(24)19(18)14-9-11-22-12-10-14/h1-12H,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50114691
PNG
(2-(2-(methylsulfinyl)benzylthio)-5-(4-fluorophenyl...)
Show SMILES CS(=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(n1)-c1ccncc1
Show InChI InChI=1S/C23H18FN3OS2/c1-30(28)21-5-3-2-4-18(21)15-29-23-26-14-20(16-6-8-19(24)9-7-16)22(27-23)17-10-12-25-13-11-17/h2-14H,15H2,1H3
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n/an/a 2.85E+4n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%