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PubMed code 12565927

Compile data set for download or QSAR
Found 24 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 11/12/13/14


(Homo sapiens (Human))		BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122996
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123004
PNG
(2-Phenyl-3-[2-((R)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123000
PNG
(2-Phenyl-3-{2-[(S)-(1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C27H24N6/c28-23-14-16-33-26(25(32-27(33)31-23)19-8-2-1-3-9-19)20-13-15-29-24(17-20)30-22-12-6-10-18-7-4-5-11-21(18)22/h1-5,7-9,11,13-17,22H,6,10,12H2,(H,29,30)(H2,28,31,32)/t22-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM15457
PNG
(2-(4-fluorophenyl)-4-methoxy-3-(pyridin-4-yl)-1H-p...)
Show SMILES COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122996
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123000
PNG
(2-Phenyl-3-{2-[(S)-(1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C27H24N6/c28-23-14-16-33-26(25(32-27(33)31-23)19-8-2-1-3-9-19)20-13-15-29-24(17-20)30-22-12-6-10-18-7-4-5-11-21(18)22/h1-5,7-9,11,13-17,22H,6,10,12H2,(H,29,30)(H2,28,31,32)/t22-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123002
PNG
(2-Benzyl-7-(4-fluoro-phenyl)-8-pyridin-4-yl-3,6-di...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc3[nH]c(Cc4ccccc4)nc3c2c1-c1ccncc1
Show InChI InChI=1S/C27H19FN4/c28-20-8-6-19(7-9-20)26-24(18-12-14-29-15-13-18)25-21(31-26)10-11-22-27(25)32-23(30-22)16-17-4-2-1-3-5-17/h1-15,31H,16H2,(H,30,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122998
PNG
(3-(2-Methylsulfanyl-pyrimidin-4-yl)-2-phenyl-imida...)
Show SMILES CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1S/C17H14N6S/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123004
PNG
(2-Phenyl-3-[2-((R)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122994
PNG
(2-(4-Fluoro-phenyl)-3-pyridin-4-yl-imidazo[1,2-a]p...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C17H12FN5/c18-13-3-1-11(2-4-13)15-16(12-5-8-20-9-6-12)23-10-7-14(19)21-17(23)22-15/h1-10H,(H2,19,21,22)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123002
PNG
(2-Benzyl-7-(4-fluoro-phenyl)-8-pyridin-4-yl-3,6-di...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc3[nH]c(Cc4ccccc4)nc3c2c1-c1ccncc1
Show InChI InChI=1S/C27H19FN4/c28-20-8-6-19(7-9-20)26-24(18-12-14-29-15-13-18)25-21(31-26)10-11-22-27(25)32-23(30-22)16-17-4-2-1-3-5-17/h1-15,31H,16H2,(H,30,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122999
PNG
(3-(2-Methoxy-pyrimidin-4-yl)-2-phenyl-imidazo[1,2-...)
Show SMILES COc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122999
PNG
(3-(2-Methoxy-pyrimidin-4-yl)-2-phenyl-imidazo[1,2-...)
Show SMILES COc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123001
PNG
(2-Phenyl-3-pyrimidin-4-yl-imidazo[1,2-a]pyrimidin-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccncn1
Show InChI InChI=1S/C16H12N6/c17-13-7-9-22-15(12-6-8-18-10-19-12)14(21-16(22)20-13)11-4-2-1-3-5-11/h1-10H,(H2,17,20,21)
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n/an/a 304n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122998
PNG
(3-(2-Methylsulfanyl-pyrimidin-4-yl)-2-phenyl-imida...)
Show SMILES CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1S/C17H14N6S/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
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n/an/a 457n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122994
PNG
(2-(4-Fluoro-phenyl)-3-pyridin-4-yl-imidazo[1,2-a]p...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C17H12FN5/c18-13-3-1-11(2-4-13)15-16(12-5-8-20-9-6-12)23-10-7-14(19)21-17(23)22-15/h1-10H,(H2,19,21,22)
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n/an/a 570n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123001
PNG
(2-Phenyl-3-pyrimidin-4-yl-imidazo[1,2-a]pyrimidin-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccncn1
Show InChI InChI=1S/C16H12N6/c17-13-7-9-22-15(12-6-8-18-10-19-12)14(21-16(22)20-13)11-4-2-1-3-5-11/h1-10H,(H2,17,20,21)
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n/an/a 990n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM15457
PNG
(2-(4-fluorophenyl)-4-methoxy-3-(pyridin-4-yl)-1H-p...)
Show SMILES COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%