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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'siekierka' and Initial = 'jj'   
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 11/12/13/14


(Homo sapiens (Human))		BDBM50215268
PNG
(CHEMBL325211)
Show SMILES Nc1cc(OCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H19FN4O/c26-19-8-6-18(7-9-19)24-22(17-10-12-28-13-11-17)23-20(14-21(27)29-25(23)30-24)31-15-16-4-2-1-3-5-16/h1-14H,15H2,(H3,27,29,30)
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n/an/a 0.910n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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 11/12/13/14


(Homo sapiens (Human))		BDBM50067495
PNG
(2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyri...)
Show SMILES COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H21FN4O2/c1-32-20-4-2-3-16(13-20)15-33-21-14-22(28)30-26-24(21)23(17-9-11-29-12-10-17)25(31-26)18-5-7-19(27)8-6-18/h2-14H,15H2,1H3,(H3,28,30,31)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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))		BDBM50215161
PNG
(CHEMBL324468)
Show SMILES Nc1cc(OCc2ccc(F)cc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H18F2N4O/c26-18-5-1-15(2-6-18)14-32-20-13-21(28)30-25-23(20)22(16-9-11-29-12-10-16)24(31-25)17-3-7-19(27)8-4-17/h1-13H,14H2,(H3,28,30,31)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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))		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 11/12/13/14


(Homo sapiens (Human))		BDBM50215299
PNG
(CHEMBL263536)
Show SMILES CCCCOc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN4O/c1-2-3-12-28-17-13-18(24)26-22-20(17)19(14-8-10-25-11-9-14)21(27-22)15-4-6-16(23)7-5-15/h4-11,13H,2-3,12H2,1H3,(H3,24,26,27)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215274
PNG
(CHEMBL332917)
Show SMILES CCCCOc1cc(OC)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3O2/c1-3-4-13-29-18-14-19(28-2)26-23-21(18)20(15-9-11-25-12-10-15)22(27-23)16-5-7-17(24)8-6-16/h5-12,14H,3-4,13H2,1-2H3,(H,26,27)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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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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))		BDBM50215267
PNG
(CHEMBL115769 | RWJ-68354)
Show SMILES COc1cc(N)[nH]c2nc(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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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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 11/12/13/14


(Homo sapiens (Human))		BDBM50215272
PNG
(CHEMBL115778)
Show SMILES Nc1cc(OCCCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C27H23FN4O/c28-21-10-8-20(9-11-21)26-24(19-12-14-30-15-13-19)25-22(17-23(29)31-27(25)32-26)33-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17H,4,7,16H2,(H3,29,31,32)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215158
PNG
(CHEMBL333823)
Show SMILES Nc1ccc2c(c([nH]c2n1)-c1cccc(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C18H13ClN4/c19-13-3-1-2-12(10-13)17-16(11-6-8-21-9-7-11)14-4-5-15(20)22-18(14)23-17/h1-10H,(H3,20,22,23)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215154
PNG
(CHEMBL112691)
Show SMILES CCCCOc1cc(O)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN3O2/c1-2-3-12-28-17-13-18(27)25-22-20(17)19(14-8-10-24-11-9-14)21(26-22)15-4-6-16(23)7-5-15/h4-11,13H,2-3,12H2,1H3,(H2,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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))		BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50465109
PNG
(CHEMBL4286199)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c(C)onc1-c1ccccc1 |r,wU:7.10,wD:4.3,(23.5,-20.17,;22.74,-18.84,;23.52,-17.51,;21.21,-18.83,;20.45,-17.49,;21.22,-16.17,;20.46,-14.83,;18.93,-14.84,;18.15,-16.16,;18.91,-17.48,;18.16,-13.5,;16.62,-13.5,;15.85,-12.16,;14.3,-12.16,;13.53,-13.5,;14.31,-14.83,;15.85,-14.84,;13.53,-16.16,;14.01,-17.63,;15.48,-18.11,;12.76,-18.54,;11.51,-17.63,;11.99,-16.16,;11.08,-14.93,;11.72,-13.52,;10.81,-12.27,;9.27,-12.43,;8.65,-13.85,;9.56,-15.09,)|
Show InChI InChI=1S/C22H25N5O2/c1-14-20(21(27-29-14)16-6-4-3-5-7-16)19-12-13-23-22(26-19)25-18-10-8-17(9-11-18)24-15(2)28/h3-7,12-13,17-18H,8-11H2,1-2H3,(H,24,28)(H,23,25,26)/t17-,18-
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n/an/a 26n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using FAM-p38tide as substrate by IMAP assay

ACS Med Chem Lett 9: 210-214 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00477
BindingDB Entry DOI: 10.7270/Q2C2503Z
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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n/an/a 28n/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))		BDBM50215159
PNG
(CHEMBL112274)
Show SMILES Nc1ccc2c(c([nH]c2n1)-c1ccc(F)c(F)c1)-c1ccncc1
Show InChI InChI=1S/C18H12F2N4/c19-13-3-1-11(9-14(13)20)17-16(10-5-7-22-8-6-10)12-2-4-15(21)23-18(12)24-17/h1-9H,(H3,21,23,24)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50071664
PNG
(5-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Br2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 32n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 8: 2489-94 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M3V
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))		BDBM50215262
PNG
(CHEMBL112273)
Show SMILES Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H13FN4/c19-13-3-1-12(2-4-13)17-16(11-7-9-21-10-8-11)14-5-6-15(20)22-18(14)23-17/h1-10H,(H3,20,22,23)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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))		BDBM50215160
PNG
(CHEMBL320255)
Show SMILES Nc1ccc2c(c([nH]c2n1)-c1cccc(I)c1)-c1ccncc1
Show InChI InChI=1S/C18H13IN4/c19-13-3-1-2-12(10-13)17-16(11-6-8-21-9-7-11)14-4-5-15(20)22-18(14)23-17/h1-10H,(H3,20,22,23)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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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n/an/a 60n/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))		BDBM50215263
PNG
(CHEMBL114525)
Show SMILES CCOc1ccc(cc1Cl)-c1[nH]c2nc(N)ccc2c1-c1ccncc1
Show InChI InChI=1S/C20H17ClN4O/c1-2-26-16-5-3-13(11-15(16)21)19-18(12-7-9-23-10-8-12)14-4-6-17(22)24-20(14)25-19/h3-11H,2H2,1H3,(H3,22,24,25)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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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n/an/a 90n/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))		BDBM50215266
PNG
(CHEMBL322770)
Show SMILES COc1ccc2c(c([nH]c2c1)-c1cccc(I)c1)-c1ccncc1
Show InChI InChI=1S/C20H15IN2O/c1-24-16-5-6-17-18(12-16)23-20(14-3-2-4-15(21)11-14)19(17)13-7-9-22-10-8-13/h2-12,23H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215265
PNG
(CHEMBL112396)
Show SMILES CC(=O)Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H15FN4O/c1-12(26)23-17-7-6-16-18(13-8-10-22-11-9-13)19(25-20(16)24-17)14-2-4-15(21)5-3-14/h2-11H,1H3,(H2,23,24,25,26)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50071667
PNG
(5-Amino-2-[1-(3,5-dichloro-4-hydroxy-phenyl)-meth-...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 102n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 8: 2489-94 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50071666
PNG
(2-(3,5-Dibromo-4-hydroxy-benzylidene)-5,6-dimethox...)
Show SMILES [#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Br)c(-[#8])c(Br)c3)-[#6](=O)-c2cc1-[#8]-[#6]
Show InChI InChI=1S/C18H12Br2O5/c1-24-14-6-9-10(7-15(14)25-2)17(22)11(16(9)21)3-8-4-12(19)18(23)13(20)5-8/h3-7,23H,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 8: 2489-94 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215273
PNG
(CHEMBL113013)
Show SMILES COc1ccc2c(c([nH]c2c1)-c1cccc(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C20H15ClN2O/c1-24-16-5-6-17-18(12-16)23-20(14-3-2-4-15(21)11-14)19(17)13-7-9-22-10-8-13/h2-12,23H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50071677
PNG
(2-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(E)-ylide...)
Show SMILES COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C17H10Br2O4/c1-23-9-2-3-10-11(7-9)16(21)12(15(10)20)4-8-5-13(18)17(22)14(19)6-8/h2-7,22H,1H3/b12-4+
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 8: 2489-94 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50465109
PNG
(CHEMBL4286199)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c(C)onc1-c1ccccc1 |r,wU:7.10,wD:4.3,(23.5,-20.17,;22.74,-18.84,;23.52,-17.51,;21.21,-18.83,;20.45,-17.49,;21.22,-16.17,;20.46,-14.83,;18.93,-14.84,;18.15,-16.16,;18.91,-17.48,;18.16,-13.5,;16.62,-13.5,;15.85,-12.16,;14.3,-12.16,;13.53,-13.5,;14.31,-14.83,;15.85,-14.84,;13.53,-16.16,;14.01,-17.63,;15.48,-18.11,;12.76,-18.54,;11.51,-17.63,;11.99,-16.16,;11.08,-14.93,;11.72,-13.52,;10.81,-12.27,;9.27,-12.43,;8.65,-13.85,;9.56,-15.09,)|
Show InChI InChI=1S/C22H25N5O2/c1-14-20(21(27-29-14)16-6-4-3-5-7-16)19-12-13-23-22(26-19)25-18-10-8-17(9-11-18)24-15(2)28/h3-7,12-13,17-18H,8-11H2,1-2H3,(H,24,28)(H,23,25,26)/t17-,18-
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n/an/a 170n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of human JNK1a1 FAM-EGFR-derived peptide as substrate by IMAP assay

ACS Med Chem Lett 9: 210-214 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00477
BindingDB Entry DOI: 10.7270/Q2C2503Z
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50575375
PNG
(CHEMBL4875016)
Show SMILES Clc1cccc(c1)-c1nc(cn1-c1ccnc(N[C@@H]2CCN(C2)C(=O)c2nccs2)n1)C1CC1 |r|
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CYP3A4 using testosterone as a substrate by LC/MS/MS analysis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00540
BindingDB Entry DOI: 10.7270/Q2V69PC2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215271
PNG
(CHEMBL410857)
Show SMILES COc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C19H14FN3O/c1-24-16-7-6-15-17(12-8-10-21-11-9-12)18(23-19(15)22-16)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,22,23)
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n/an/a 200n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215264
PNG
(CHEMBL263280)
Show SMILES Nc1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C19H14FN3/c20-14-3-1-13(2-4-14)19-18(12-7-9-22-10-8-12)16-6-5-15(21)11-17(16)23-19/h1-11,23H,21H2
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n/an/a 200n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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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n/an/a 210n/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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50575374
PNG
(CHEMBL4876338)
Show SMILES O=C(N1CC[C@H](C1)Nc1nccc(n1)-n1cc(nc1-c1ccccc1)C1CC1)c1nccs1 |r|
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TBA

Assay Description
Inhibition of human CYP3A4 using testosterone as a substrate by LC/MS/MS analysis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00540
BindingDB Entry DOI: 10.7270/Q2V69PC2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215270
PNG
(CHEMBL326584)
Show SMILES Fc1ccc(cc1)-c1[nH]c2nc(NCc3ccccc3)ccc2c1-c1ccncc1
Show InChI InChI=1S/C25H19FN4/c26-20-8-6-19(7-9-20)24-23(18-12-14-27-15-13-18)21-10-11-22(29-25(21)30-24)28-16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,28,29,30)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50215155
PNG
(CHEMBL321196)
Show SMILES COc1ccc2c(c([nH]c2c1)-c1cccc(F)c1)-c1ccncc1
Show InChI InChI=1S/C20H15FN2O/c1-24-16-5-6-17-18(12-16)23-20(14-3-2-4-15(21)11-14)19(17)13-7-9-22-10-8-13/h2-12,23H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells

Bioorg Med Chem Lett 8: 3335-40 (1998)


BindingDB Entry DOI: 10.7270/Q25T3NNZ
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50071668
PNG
(2-(3,5-Dichloro-4-hydroxy-benzylidene)-5,6-dimetho...)
Show SMILES [#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Cl)c(-[#8])c(Cl)c3)-[#6](=O)-c2cc1-[#8]-[#6]
Show InChI InChI=1S/C18H12Cl2O5/c1-24-14-6-9-10(7-15(14)25-2)17(22)11(16(9)21)3-8-4-12(19)18(23)13(20)5-8/h3-7,23H,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 8: 2489-94 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
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