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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50010499   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095408
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H24N4O2/c1-11-6-8-12(9-7-11)20-17(24)21-13-10-14(18(2,3)4)22-15(13)16(23)19-5/h6-10,22H,1-5H3,(H,19,23)(H2,20,21,24)
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n/an/a 67n/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))
BDBM50095396
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O4/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 73n/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))
BDBM50095391
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-thioph...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20FN3O2S/c1-17(2,3)13-9-12(14(24-13)15(22)19-4)21-16(23)20-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H,19,22)(H2,20,21,23)
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n/an/a 88n/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))
BDBM50095422
PNG
(5-tert-Butyl-3-[3-(4-ethyl-phenyl)-ureido]-thiophe...)
Show SMILES CCc1ccc(NC(=O)Nc2cc(sc2C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C19H25N3O2S/c1-6-12-7-9-13(10-8-12)21-18(24)22-14-11-15(19(2,3)4)25-16(14)17(23)20-5/h7-11H,6H2,1-5H3,(H,20,23)(H2,21,22,24)
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n/an/a 119n/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))
BDBM50095406
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-th...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H18Cl2N2O3S/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 180n/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))
BDBM50095418
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-furan-...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19FN2O4/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
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n/an/a 210n/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))
BDBM50095420
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thioph...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19ClN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
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n/an/a 220n/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))
BDBM50095399
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 248n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha2 kinase


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))
BDBM50095400
PNG
(5-tert-Butyl-1-methyl-3-(3-naphthalen-1-yl-ureido)...)
Show SMILES COC(=O)c1c(NC(=O)Nc2cccc3ccccc23)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)18-13-17(19(25(18)4)20(26)28-5)24-21(27)23-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,1-5H3,(H2,23,24,27)
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n/an/a 253n/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))
BDBM50095421
PNG
(5-tert-Butyl-3-[3-(4-isopropyl-phenyl)-ureido]-thi...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(cc1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C20H27N3O2S/c1-12(2)13-7-9-14(10-8-13)22-19(25)23-15-11-16(20(3,4)5)26-17(15)18(24)21-6/h7-12H,1-6H3,(H,21,24)(H2,22,23,25)
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n/an/a 270n/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))
BDBM50095423
PNG
(5-tert-Butyl-3-(3-phenyl-ureido)-thiophene-2-carbo...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-12(14(23-13)15(20)22-4)19-16(21)18-11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,18,19,21)
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n/an/a 290n/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))
BDBM50095427
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1-...)
Show SMILES COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2Cl)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C18H21Cl2N3O3/c1-18(2,3)13-9-12(15(23(13)4)16(24)26-5)22-17(25)21-11-8-6-7-10(19)14(11)20/h6-9H,1-5H3,(H2,21,22,25)
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n/an/a 387n/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))
BDBM50095430
PNG
(5-tert-Butyl-1-methyl-3-(3-p-tolyl-ureido)-1H-pyrr...)
Show SMILES COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C19H25N3O3/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6/h7-11H,1-6H3,(H2,20,21,24)
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n/an/a 400n/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))
BDBM50095399
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 413n/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))
BDBM50095405
PNG
(5-Amino-3-(3-p-tolyl-ureido)-thiophene-2-carboxyli...)
Show SMILES COC(=O)c1sc(N)cc1NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-8-3-5-9(6-4-8)16-14(19)17-10-7-11(15)21-12(10)13(18)20-2/h3-7H,15H2,1-2H3,(H2,16,17,19)
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n/an/a 441n/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))
BDBM50095419
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O4S/c1-13-6-8-14(9-7-13)21-19(24)22-15-12-16(20(2,3)4)27-17(15)18(23)26-11-10-25-5/h6-9,12H,10-11H2,1-5H3,(H2,21,22,24)
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n/an/a 464n/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))
BDBM50095404
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES CCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O3S/c1-6-11-25-18(23)17-15(12-16(26-17)20(3,4)5)22-19(24)21-14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H2,21,22,24)
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n/an/a 482n/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))
BDBM50095411
PNG
(5-tert-Butyl-3-[3-(4-hydroxy-phenyl)-ureido]-thiop...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(O)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20N2O4S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)19-16(22)18-10-5-7-11(20)8-6-10/h5-9,20H,1-4H3,(H2,18,19,22)
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n/an/a 610n/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))
BDBM50095417
PNG
(5-tert-Butyl-3-[3-(4-ethyl-phenyl)-ureido]-thiophe...)
Show SMILES CCc1ccc(NC(=O)Nc2cc(sc2C(=O)OC)C(C)(C)C)cc1
Show InChI InChI=1S/C19H24N2O3S/c1-6-12-7-9-13(10-8-12)20-18(23)21-14-11-15(19(2,3)4)25-16(14)17(22)24-5/h7-11H,6H2,1-5H3,(H2,20,21,23)
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n/an/a 660n/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))
BDBM50095425
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-1-meth...)
Show SMILES COC(=O)c1c(NC(=O)Nc2ccc(F)cc2)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C18H22FN3O3/c1-18(2,3)14-10-13(15(22(14)4)16(23)25-5)21-17(24)20-12-8-6-11(19)7-9-12/h6-10H,1-5H3,(H2,20,21,24)
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n/an/a 663n/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))
BDBM50095393
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES CC(C)OC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O3S/c1-12(2)25-18(23)17-15(11-16(26-17)20(4,5)6)22-19(24)21-14-9-7-13(3)8-10-14/h7-12H,1-6H3,(H2,21,22,24)
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n/an/a 741n/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))
BDBM50095395
PNG
(3-[3-(4-Amino-phenyl)-ureido]-5-tert-butyl-thiophe...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(N)cc1)C(C)(C)C
Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,18H2,1-4H3,(H2,19,20,22)
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n/an/a 750n/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))
BDBM50095413
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-thioph...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19FN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
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n/an/a 830n/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))
BDBM50095410
PNG
(5-tert-Butyl-1-methyl-3-(3-phenyl-ureido)-1H-pyrro...)
Show SMILES COC(=O)c1c(NC(=O)Nc2ccccc2)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)14-11-13(15(21(14)4)16(22)24-5)20-17(23)19-12-9-7-6-8-10-12/h6-11H,1-5H3,(H2,19,20,23)
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n/an/a 947n/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))
BDBM50095394
PNG
(5-tert-Butyl-3-[3-(3,4-dichloro-phenyl)-ureido]-fu...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C17H18Cl2N2O4/c1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9/h5-8H,1-4H3,(H2,20,21,23)
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PubMed
n/an/a 1.20E+3n/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))
BDBM50095414
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES CCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C19H24N2O3S/c1-6-24-17(22)16-14(11-15(25-16)19(3,4)5)21-18(23)20-13-9-7-12(2)8-10-13/h7-11H,6H2,1-5H3,(H2,20,21,23)
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PubMed
n/an/a 3.02E+3n/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))
BDBM50095416
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H24N2O5S/c1-12-6-8-13(9-7-12)21-19(25)22-14-10-15(20(2,3)4)28-17(14)18(24)27-11-16(23)26-5/h6-10H,11H2,1-5H3,(H2,21,22,25)
PDB
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UniChem

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PubMed
n/an/a 5.31E+3n/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