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PubMed code 17181176

Compile data set for download or QSAR
Found 17 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))
BDBM50241111
PNG
(3-(2-Amino-4-fluoro-phenylamino)-6H-dibenzo[b,e]ox...)
Show SMILES Nc1cc(F)ccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H15FN2O2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,22H2
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n/an/a 38n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
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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n/an/a 68n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 89n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50241112
PNG
(2-(2-Amino-phenylamino)-10,11-dihydro-dibenzo[a,d]...)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
Show InChI InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2
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n/an/a 104n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136897
PNG
((2-Chloro-4-phenylamino-phenyl)-o-tolyl-methanone ...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H16ClNO/c1-14-7-5-6-10-17(14)20(23)18-12-11-16(13-19(18)21)22-15-8-3-2-4-9-15/h2-13,22H,1H3
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n/an/a 190n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370778
PNG
(CHEMBL220074)
Show SMILES Nc1ccccc1Nc1ccc2c(SCc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H16N2OS/c21-17-7-3-4-8-18(17)22-14-9-10-16-19(11-14)24-12-13-5-1-2-6-15(13)20(16)23/h1-11,22H,12,21H2
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n/an/a 196n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50241114
PNG
(3-(2,4-Difluoro-phenylamino)-6H-dibenzo[b,e]oxepin...)
Show SMILES Fc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C20H13F2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2
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n/an/a 239n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50241115
PNG
(3-(2-Amino-phenylamino)-6H-dibenzo[b,e]oxepin-11-o...)
Show SMILES Nc1ccccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H16N2O2/c21-17-7-3-4-8-18(17)22-14-9-10-16-19(11-14)24-12-13-5-1-2-6-15(13)20(16)23/h1-11,22H,12,21H2
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n/an/a 303n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50241113
PNG
(2-(2-amino-phenylamino)-dibenzo[a,d]cyclohepten-5-...)
Show SMILES Nc1ccccc1Nc1ccc2c(c1)ccc1ccccc1c2=O
Show InChI InChI=1S/C21H16N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-13,23H,22H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370774
PNG
(CHEMBL219692)
Show SMILES Nc1ccc(Nc2ccc3c(CCc4ccccc4C3=O)c2)cc1
Show InChI InChI=1S/C21H18N2O/c22-16-7-9-17(10-8-16)23-18-11-12-20-15(13-18)6-5-14-3-1-2-4-19(14)21(20)24/h1-4,7-13,23H,5-6,22H2
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n/an/a 1.17E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370776
PNG
(CHEMBL373775)
Show SMILES Nc1cccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c1
Show InChI InChI=1S/C20H16N2O2/c21-14-5-3-6-15(10-14)22-16-8-9-18-19(11-16)24-12-13-4-1-2-7-17(13)20(18)23/h1-11,22H,12,21H2
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n/an/a 1.22E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370770
PNG
(CHEMBL219424)
Show SMILES Nc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C20H15FN2O2/c21-17-9-13(22)5-8-18(17)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,22H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370777
PNG
(CHEMBL375350)
Show SMILES Clc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370775
PNG
(CHEMBL219259)
Show SMILES Nc1ccccc1Nc1ccc2c(COc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H16N2O2/c21-17-6-2-3-7-18(17)22-14-9-10-15-13(11-14)12-24-19-8-4-1-5-16(19)20(15)23/h1-11,22H,12,21H2
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n/an/a 3.06E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370773
PNG
(CHEMBL219476)
Show SMILES Nc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(N)c1
Show InChI InChI=1S/C20H17N3O2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,21-22H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370772
PNG
(CHEMBL220349)
Show SMILES Brc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(Br)c1
Show InChI InChI=1S/C20H13Br2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50370771
PNG
(CHEMBL219965)
Show SMILES Nc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)cc1
Show InChI InChI=1S/C20H16N2O2/c21-14-5-7-15(8-6-14)22-16-9-10-18-19(11-16)24-12-13-3-1-2-4-17(13)20(18)23/h1-11,22H,12,21H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Eberhard-Karls-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


J Med Chem 49: 7912-5 (2006)


Article DOI: 10.1021/jm061072p
BindingDB Entry DOI: 10.7270/Q26Q1Z2K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%