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PubMed code 10999467

Compile data set for download or QSAR
Found 19 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))
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
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))
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))
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))
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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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))
BDBM50091929
PNG
(2-[3-(3,4-Dichloro-phenyl)-ureido]-benzamide | CHE...)
Show SMILES NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3O2/c15-10-6-5-8(7-11(10)16)18-14(21)19-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
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n/an/a 100n/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))
BDBM50091920
PNG
(1-(5-tert-Butyl-thiophen-2-yl)-3-(2,3-dichloro-phe...)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C15H16Cl2N2OS/c1-15(2,3)11-7-8-12(21-11)19-14(20)18-10-6-4-5-9(16)13(10)17/h4-8H,1-3H3,(H2,18,19,20)
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n/an/a 120n/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))
BDBM50091913
PNG
(1-(2,3-Dichloro-phenyl)-3-[3-(2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
Show InChI InChI=1S/C15H17Cl2N3O2/c1-15(2,3)8-9-7-12(22-20-9)19-14(21)18-11-6-4-5-10(16)13(11)17/h4-7H,8H2,1-3H3,(H2,18,19,21)
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n/an/a 120n/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))
BDBM50091916
PNG
(1-(2,3-Dichloro-phenyl)-3-[3-(1,1-dimethyl-propyl)...)
Show SMILES CCC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
Show InChI InChI=1S/C15H17Cl2N3O2/c1-4-15(2,3)11-8-12(22-20-11)19-14(21)18-10-7-5-6-9(16)13(10)17/h5-8H,4H2,1-3H3,(H2,18,19,21)
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n/an/a 120n/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))
BDBM50091912
PNG
(1-(5-tert-Butyl-thiophen-3-yl)-3-(2,3-dichloro-phe...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)cs1
Show InChI InChI=1S/C15H16Cl2N2OS/c1-15(2,3)12-7-9(8-21-12)18-14(20)19-11-6-4-5-10(16)13(11)17/h4-8H,1-3H3,(H2,18,19,20)
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n/an/a 160n/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))
BDBM50091914
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-fluoro-phenyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1
Show InChI InChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
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n/an/a 190n/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))
BDBM50091926
PNG
(1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethy...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)on1
Show InChI InChI=1S/C15H16F3N3O2/c1-14(2,3)11-8-12(23-21-11)20-13(22)19-10-6-4-9(5-7-10)15(16,17)18/h4-8H,1-3H3,(H2,19,20,22)
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n/an/a 200n/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))
BDBM50091918
PNG
(1-(3-tert-Butyl-isoxazol-5-yl)-3-(3,4-dichloro-phe...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C14H15Cl2N3O2/c1-14(2,3)11-7-12(21-19-11)18-13(20)17-8-4-5-9(15)10(16)6-8/h4-7H,1-3H3,(H2,17,18,20)
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n/an/a 220n/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))
BDBM50091921
PNG
(1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-chloro-phenyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)on1
Show InChI InChI=1S/C14H16ClN3O2/c1-14(2,3)11-8-12(20-18-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,19)
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n/an/a 260n/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))
BDBM50091925
PNG
(1-(2,3-Dichloro-phenyl)-3-(3-isopropyl-isoxazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
Show InChI InChI=1S/C13H13Cl2N3O2/c1-7(2)10-6-11(20-18-10)17-13(19)16-9-5-3-4-8(14)12(9)15/h3-7H,1-2H3,(H2,16,17,19)
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n/an/a 290n/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))
BDBM50091915
PNG
(1-(3-Cyclobutyl-isoxazol-5-yl)-3-(2,3-dichloro-phe...)
Show SMILES Clc1cccc(NC(=O)Nc2cc(no2)C2CCC2)c1Cl
Show InChI InChI=1S/C14H13Cl2N3O2/c15-9-5-2-6-10(13(9)16)17-14(20)18-12-7-11(19-21-12)8-3-1-4-8/h2,5-8H,1,3-4H2,(H2,17,18,20)
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n/an/a 370n/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))
BDBM50091924
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(3,5-dibromo-phen...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cc(Br)cc(Br)c2)no1
Show InChI InChI=1S/C14H15Br2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-8(15)4-9(16)6-10/h4-7H,1-3H3,(H2,17,18,19,20)
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n/an/a 710n/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))
BDBM50091922
PNG
(1-(2,3-Dichloro-phenyl)-3-(3-isopropyl-4-methyl-is...)
Show SMILES CC(C)c1noc(NC(=O)Nc2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C14H15Cl2N3O2/c1-7(2)12-8(3)13(21-19-12)18-14(20)17-10-6-4-5-9(15)11(10)16/h4-7H,1-3H3,(H2,17,18,20)
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n/an/a 920n/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))
BDBM50091928
PNG
(1-(3-Butyl-isoxazol-5-yl)-3-(2,3-dichloro-phenyl)-...)
Show SMILES CCCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
Show InChI InChI=1S/C14H15Cl2N3O2/c1-2-3-5-9-8-12(21-19-9)18-14(20)17-11-7-4-6-10(15)13(11)16/h4,6-8H,2-3,5H2,1H3,(H2,17,18,20)
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n/an/a 1.10E+3n/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
* indicates data uncertainty>20%