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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'housley' and Initial = 'tj'   
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))
BDBM50091927
PNG
(1-(2,6-Dichloro-phenyl)-1-(4'-fluoro-6-hydroxymeth...)
Show SMILES Cc1cc(F)ccc1-c1cc(ccc1CO)N(C(N)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H17Cl2FN2O2/c1-12-9-14(24)6-8-16(12)17-10-15(7-5-13(17)11-27)26(21(25)28)20-18(22)3-2-4-19(20)23/h2-10,27H,11H2,1H3,(H2,25,28)
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n/an/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.


Bioorg Med Chem Lett 10: 2047-50 (2000)


BindingDB Entry DOI: 10.7270/Q2FB526H
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50114250
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27)
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n/an/a 4.20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095409
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1H...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H19Cl2N3O3/c1-17(2,3)12-8-11(14(22-12)15(23)25-4)21-16(24)20-10-7-5-6-9(18)13(10)19/h5-8,22H,1-4H3,(H2,20,21,24)
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091931
PNG
(1-[5-tert-Butyl-2-(3-nitro-phenyl)-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H19Cl2N5O3/c1-20(2,3)16-11-17(24-19(28)23-15-9-5-8-14(21)18(15)22)26(25-16)12-6-4-7-13(10-12)27(29)30/h4-11H,1-3H3,(H2,23,24,28)
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n/an/a 11n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095390
PNG
(5-tert-Butyl-3-(3-naphthalen-1-yl-ureido)-1H-pyrro...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C21H23N3O3/c1-21(2,3)17-12-16(18(24-17)19(25)27-4)23-20(26)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,24H,1-4H3,(H2,22,23,26)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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n/an/a 13n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114245
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccncc2)cc1)C(C)(C)C
Show InChI InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)
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n/an/a 13n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
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 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.


Bioorg Med Chem Lett 10: 2047-50 (2000)


BindingDB Entry DOI: 10.7270/Q2FB526H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095392
PNG
(5-tert-Butyl-3-[3-(3-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-6-10(18)8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 27n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095415
PNG
(5-tert-Butyl-3-(3-naphthalen-1-yl-ureido)-1H-pyrro...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)17-12-16(18(25-17)19(26)22-4)24-20(27)23-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,25H,1-4H3,(H,22,26)(H2,23,24,27)
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n/an/a 28n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091954
PNG
(1-[2-(4-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(N)cc1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-9-7-12(23)8-10-13)25-19(28)24-15-6-4-5-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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n/an/a 29n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091951
PNG
(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-(2,3-d...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccccc1
Show InChI InChI=1S/C20H20Cl2N4O/c1-20(2,3)16-12-17(26(25-16)13-8-5-4-6-9-13)24-19(27)23-15-11-7-10-14(21)18(15)22/h4-12H,1-3H3,(H2,23,24,27)
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n/an/a 30n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091933
PNG
(1-[5-tert-Butyl-2-(4-methanesulfonyl-phenyl)-2H-py...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H22Cl2N4O3S/c1-21(2,3)17-12-18(25-20(28)24-16-7-5-6-15(22)19(16)23)27(26-17)13-8-10-14(11-9-13)31(4,29)30/h5-12H,1-4H3,(H2,24,25,28)
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n/an/a 32n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095429
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-fu...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H18Cl2N2O4/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095402
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...)
Show SMILES CNC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)20-17(23)21-13-10-14(18(2,3)4)24-15(13)16(22)19-5/h6-10H,1-5H3,(H,19,22)(H2,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114231
PNG
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)
Show SMILES CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C24H29N5O4/c1-6-32-23(31)26-17-9-13-19(14-10-17)33-18-11-7-16(8-12-18)25-22(30)27-21-15-20(24(2,3)4)28-29(21)5/h7-15H,6H2,1-5H3,(H,26,31)(H2,25,27,30)
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n/an/a 33n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091939
PNG
(1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-y...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(F)c1
Show InChI InChI=1S/C20H19Cl2FN4O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,1-3H3,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095428
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)
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n/an/a 33n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095403
PNG
(1-(5-tert-butyl-2-(methylcarbamoyl)thiophen-3-yl)-...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O2S/c1-11-6-8-12(9-7-11)20-17(23)21-13-10-14(18(2,3)4)24-15(13)16(22)19-5/h6-10H,1-5H3,(H,19,22)(H2,20,21,23)
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n/an/a 34n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091936
PNG
(1-[5-tert-Butyl-2-(3-methoxy-phenyl)-2H-pyrazol-3-...)
Show SMILES COc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C21H22Cl2N4O2/c1-21(2,3)17-12-18(27(26-17)13-7-5-8-14(11-13)29-4)25-20(28)24-16-10-6-9-15(22)19(16)23/h5-12H,1-4H3,(H2,24,25,28)
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n/an/a 35n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114235
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccc(O)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C21H24N4O2S/c1-21(2,3)18-13-19(25(4)24-18)23-20(27)22-14-5-9-16(10-6-14)28-17-11-7-15(26)8-12-17/h5-13,26H,1-4H3,(H2,22,23,27)
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n/an/a 35n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091919
PNG
(1-(3-tert-Butyl-isoxazol-5-yl)-3-(2,3-dichloro-phe...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
Show InChI InChI=1S/C14H15Cl2N3O2/c1-14(2,3)10-7-11(21-19-10)18-13(20)17-9-6-4-5-8(15)12(9)16/h4-7H,1-3H3,(H2,17,18,20)
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n/an/a 36n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.


Bioorg Med Chem Lett 10: 2047-50 (2000)


BindingDB Entry DOI: 10.7270/Q2FB526H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114247
PNG
(CHEMBL415679 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)
Show SMILES CC(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C27H35N5O2/c1-18(2)15-25(33)28-21-11-7-19(8-12-21)16-20-9-13-22(14-10-20)29-26(34)30-24-17-23(27(3,4)5)31-32(24)6/h7-14,17-18H,15-16H2,1-6H3,(H,28,33)(H2,29,30,34)
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n/an/a 37n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114240
PNG
(CHEMBL290982 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)
Show SMILES CCC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C25H31N5O2/c1-6-23(31)26-19-11-7-17(8-12-19)15-18-9-13-20(14-10-18)27-24(32)28-22-16-21(25(2,3)4)29-30(22)5/h7-14,16H,6,15H2,1-5H3,(H,26,31)(H2,27,28,32)
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n/an/a 38n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091952
PNG
(1-[5-tert-Butyl-2-(4-nitro-phenyl)-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H19Cl2N5O3/c1-20(2,3)16-11-17(24-19(28)23-15-6-4-5-14(21)18(15)22)26(25-16)12-7-9-13(10-8-12)27(29)30/h4-11H,1-3H3,(H2,23,24,28)
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n/an/a 39n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091932
PNG
(1-[5-tert-Butyl-2-(4-chloro-phenyl)-2H-pyrazol-3-y...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl3N4O/c1-20(2,3)16-11-17(27(26-16)13-9-7-12(21)8-10-13)25-19(28)24-15-6-4-5-14(22)18(15)23/h4-11H,1-3H3,(H2,24,25,28)
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n/an/a 42n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095398
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20FN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-10(18)6-8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 42n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114250
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27)
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n/an/a 42n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091937
PNG
(1-(5-tert-Butyl-2-o-tolyl-2H-pyrazol-3-yl)-3-(2,3-...)
Show SMILES Cc1ccccc1-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C21H22Cl2N4O/c1-13-8-5-6-11-16(13)27-18(12-17(26-27)21(2,3)4)25-20(28)24-15-10-7-9-14(22)19(15)23/h5-12H,1-4H3,(H2,24,25,28)
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n/an/a 43n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095407
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-10(18)6-8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 43n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095426
PNG
(5-tert-Butyl-3-(3-phenyl-ureido)-1H-pyrrole-2-carb...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)13-10-12(14(20-13)15(21)23-4)19-16(22)18-11-8-6-5-7-9-11/h5-10,20H,1-4H3,(H2,18,19,22)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091943
PNG
(1-(5-tert-Butyl-2H-pyrazol-3-yl)-3-(2,3-dichloro-p...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)[nH]n1
Show InChI InChI=1S/C14H16Cl2N4O/c1-14(2,3)10-7-11(20-19-10)18-13(21)17-9-6-4-5-8(15)12(9)16/h4-7H,1-3H3,(H3,17,18,19,20,21)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114244
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(CSc2ccncc2)cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-7-5-15(6-8-16)14-28-17-9-11-22-12-10-17/h5-13H,14H2,1-4H3,(H2,23,24,27)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095397
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1H...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H20Cl2N4O2/c1-17(2,3)12-8-11(14(23-12)15(24)20-4)22-16(25)21-10-7-5-6-9(18)13(10)19/h5-8,23H,1-4H3,(H,20,24)(H2,21,22,25)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114239
PNG
(CHEMBL40166 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2H...)
Show SMILES CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C26H33N5O3/c1-17(2)15-24(32)27-18-7-11-20(12-8-18)34-21-13-9-19(10-14-21)28-25(33)29-23-16-22(26(3,4)5)30-31(23)6/h7-14,16-17H,15H2,1-6H3,(H,27,32)(H2,28,29,33)
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n/an/a 45n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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n/an/a 52n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091923
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-d...)
Show SMILES Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C15H18Cl2N4O/c1-15(2,3)11-8-12(21(4)20-11)19-14(22)18-10-7-5-6-9(16)13(10)17/h5-8H,1-4H3,(H2,18,19,22)
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n/an/a 53n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091946
PNG
(1-[5-tert-Butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C21H22Cl2N4O2/c1-21(2,3)17-12-18(27(26-17)13-8-10-14(29-4)11-9-13)25-20(28)24-16-7-5-6-15(22)19(16)23/h5-12H,1-4H3,(H2,24,25,28)
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n/an/a 53n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091923
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-d...)
Show SMILES Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C15H18Cl2N4O/c1-15(2,3)11-8-12(21(4)20-11)19-14(22)18-10-7-5-6-9(16)13(10)17/h5-8H,1-4H3,(H2,18,19,22)
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n/an/a 53n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091923
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-d...)
Show SMILES Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C15H18Cl2N4O/c1-15(2,3)11-8-12(21(4)20-11)19-14(22)18-10-7-5-6-9(16)13(10)17/h5-8H,1-4H3,(H2,18,19,22)
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n/an/a 53n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.


Bioorg Med Chem Lett 10: 2047-50 (2000)


BindingDB Entry DOI: 10.7270/Q2FB526H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114242
PNG
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)
Show SMILES CC(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)33-24(32)27-18-9-13-20(14-10-18)34-19-11-7-17(8-12-19)26-23(31)28-22-15-21(25(3,4)5)29-30(22)6/h7-16H,1-6H3,(H,27,32)(H2,26,28,31)
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n/an/a 54n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091938
PNG
(1-[5-tert-Butyl-2-(3-trifluoromethyl-phenyl)-2H-py...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19Cl2F3N4O/c1-20(2,3)16-11-17(28-19(31)27-15-9-5-8-14(22)18(15)23)30(29-16)13-7-4-6-12(10-13)21(24,25)26/h4-11H,1-3H3,(H2,27,28,31)
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n/an/a 56n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095401
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCCO)C(C)(C)C)cc1
Show InChI InChI=1S/C20H26N2O4S/c1-13-6-8-14(9-7-13)21-19(25)22-15-12-16(20(2,3)4)27-17(15)18(24)26-11-5-10-23/h6-9,12,23H,5,10-11H2,1-4H3,(H2,21,22,25)
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n/an/a 56n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50114238
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)
Show SMILES CCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C24H30N4O2S/c1-6-15-30-18-9-13-20(14-10-18)31-19-11-7-17(8-12-19)25-23(29)26-22-16-21(24(2,3)4)27-28(22)5/h7-14,16H,6,15H2,1-5H3,(H2,25,26,29)
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n/an/a 57n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 12: 1559-62 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4H28
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095412
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCO)C(C)(C)C)cc1
Show InChI InChI=1S/C19H24N2O4S/c1-12-5-7-13(8-6-12)20-18(24)21-14-11-15(19(2,3)4)26-16(14)17(23)25-10-9-22/h5-8,11,22H,9-10H2,1-4H3,(H2,20,21,24)
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n/an/a 57n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50091917
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(2,3-dichloro-phe...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)no1
Show InChI InChI=1S/C14H15Cl2N3O2/c1-14(2,3)10-7-11(19-21-10)18-13(20)17-9-6-4-5-8(15)12(9)16/h4-7H,1-3H3,(H2,17,18,19,20)
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PubMed
n/an/a 58n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.


Bioorg Med Chem Lett 10: 2047-50 (2000)


BindingDB Entry DOI: 10.7270/Q2FB526H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095424
PNG
(5-tert-Butyl-3-[3-(2-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-8-6-5-7-10(11)18/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
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