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Compile Data Set for Download or QSAR

Found 472 hits Enz. Inhib. hit(s) with Target = 'p38 delta/gamma'   
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 13 (MAPK13)


(Homo sapiens (Human))
BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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2.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38delta


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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3.50E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38gamma


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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5.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant P38delta after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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6.81E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P38delta


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>7.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P38 gamma


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420761
PNG
(CHEMBL2087507)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)
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n/an/a 0.640n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420769
PNG
(CHEMBL2087515)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)
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n/an/a 0.830n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420767
PNG
(CHEMBL2087513)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C23H18ClFN4O/c1-13-18(10-15(11-20(13)25)23(30)26-16-6-7-16)14-8-9-29-21(12-14)27-28-22(29)17-4-2-3-5-19(17)24/h2-5,8-12,16H,6-7H2,1H3,(H,26,30)
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n/an/a 1.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420746
PNG
(CHEMBL2087524)
Show SMILES CN(C)C(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29)
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n/an/a 1.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420763
PNG
(CHEMBL2087509)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27)
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n/an/a 1.90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420756
PNG
(CHEMBL2087501)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
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n/an/a 2n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420758
PNG
(CHEMBL2087503)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)
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n/an/a 3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420747
PNG
(CHEMBL2087526)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)O)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26)
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n/an/a 3.10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of p38delta


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342101
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
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n/an/a 5n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420740
PNG
(CHEMBL2087742)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(-7.31,-33.73,;-5.98,-32.96,;-5.98,-31.41,;-7.31,-30.64,;-4.65,-30.64,;-3.31,-31.41,;-3.31,-32.96,;-4.64,-33.73,;-4.64,-35.27,;-3.32,-36.03,;-1.98,-35.26,;-3.32,-37.58,;-4.66,-38.34,;-4.99,-39.84,;-6.52,-39.99,;-7.13,-38.59,;-5.99,-37.57,;-5.99,-36.03,;-7.32,-35.26,;-4.18,-41.14,;-4.91,-42.5,;-2.64,-41.09,;-3.42,-42.47,;-1.98,-30.63,;-1.99,-29.09,;-.64,-31.4,;.69,-30.62,;2.22,-30.62,;1.45,-29.29,)|
Show InChI InChI=1S/C21H21F3N4O/c1-10-13(7-11(8-14(10)22)19(29)25-12-5-6-12)16-15(23)9-28-18(17(16)24)26-27-20(28)21(2,3)4/h7-9,12H,5-6H2,1-4H3,(H,25,29)
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n/an/a 6.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420766
PNG
(CHEMBL2087512)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29)
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n/an/a 6.30n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420749
PNG
(CHEMBL2087743)
Show SMILES CC(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(6.05,-42.79,;6.78,-41.43,;8.32,-41.38,;5.97,-40.13,;4.44,-40.28,;3.82,-38.87,;4.97,-37.85,;4.97,-36.32,;3.64,-35.55,;6.31,-35.56,;7.64,-36.32,;8.98,-35.55,;7.63,-37.86,;6.3,-38.63,;6.32,-34.02,;7.65,-33.25,;7.65,-31.7,;6.31,-30.93,;4.98,-31.7,;3.65,-30.93,;4.98,-33.25,;3.65,-34.02,;8.98,-30.92,;8.97,-29.38,;10.31,-31.69,;11.65,-30.91,;13.18,-30.91,;12.41,-29.58,)|
Show InChI InChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28)
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n/an/a 6.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420773
PNG
(CHEMBL2087505)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H19FN4O/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12-2-3-12/h6-10,12,15H,2-5H2,1H3,(H,22,26)
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n/an/a 6.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342110
PNG
(3-Ethynyl-5-((4-((4-(3-(3-isopropyl-1-methyl-1H-py...)
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n/an/a 9n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420744
PNG
(CHEMBL2087522)
Show SMILES COC(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
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n/an/a 9.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420750
PNG
(CHEMBL2087744)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C1CC1)C(=O)NC1CC1 |(17.06,-33.61,;18.39,-32.84,;18.39,-31.3,;17.06,-30.53,;19.72,-30.53,;21.06,-31.29,;21.06,-32.84,;19.73,-33.62,;19.73,-35.16,;21.05,-35.92,;22.39,-35.15,;21.04,-37.46,;19.71,-38.23,;19.38,-39.73,;17.85,-39.88,;17.23,-38.47,;18.38,-37.45,;18.38,-35.92,;17.05,-35.14,;20.19,-41.03,;20.24,-42.56,;21.54,-41.75,;22.39,-30.52,;22.38,-28.98,;23.73,-31.28,;25.06,-30.51,;26.59,-30.51,;25.82,-29.18,)|
Show InChI InChI=1S/C20H17F3N4O/c1-9-13(6-11(7-14(9)21)20(28)24-12-4-5-12)16-15(22)8-27-18(10-2-3-10)25-26-19(27)17(16)23/h6-8,10,12H,2-5H2,1H3,(H,24,28)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342102
PNG
(1-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-(...)
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n/an/a 10n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
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n/an/a 11n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342107
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
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n/an/a 11n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha by Z'-LYTE assay


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420760
PNG
(CHEMBL2087506)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420752
PNG
(CHEMBL2087746)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)N)C(=O)NC1CC1 |(3.97,.97,;5.3,1.74,;5.3,3.28,;3.97,4.05,;6.63,4.05,;7.97,3.29,;7.97,1.74,;6.63,.97,;6.63,-.57,;7.96,-1.33,;9.29,-.56,;7.95,-2.88,;6.62,-3.65,;6.29,-5.15,;4.76,-5.3,;4.14,-3.89,;5.29,-2.87,;5.29,-1.34,;3.96,-.56,;7.09,-6.45,;6.37,-7.8,;8.63,-6.4,;7.86,-7.77,;9.3,4.06,;9.29,5.6,;10.63,3.3,;11.96,4.07,;13.5,4.07,;12.73,5.4,)|
Show InChI InChI=1S/C20H20F3N5O/c1-9-12(6-10(7-13(9)21)18(29)25-11-4-5-11)15-14(22)8-28-17(16(15)23)26-27-19(28)20(2,3)24/h6-8,11H,4-5,24H2,1-3H3,(H,25,29)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342111
PNG
(3-Ethynyl-5-((4-((4-(3-(3-isopropyl-1-methyl-1H-py...)
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n/an/a 13n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420754
PNG
(CHEMBL2087499)
Show SMILES Cc1ccc(cc1-c1ccc2c(noc2c1)N1CCCCC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420753
PNG
(CHEMBL2087747)
Show SMILES CN(C)C(C)(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(22.02,-8.75,;22.79,-7.42,;24.33,-7.42,;22.03,-6.1,;21.3,-7.45,;23.57,-6.05,;21.22,-4.8,;19.69,-4.95,;19.08,-3.54,;20.22,-2.52,;20.22,-.99,;18.89,-.21,;21.57,-.22,;22.89,-.98,;24.23,-.21,;22.89,-2.53,;21.55,-3.3,;21.57,1.32,;22.9,2.09,;22.9,3.64,;21.56,4.4,;20.24,3.63,;18.9,4.4,;20.23,2.09,;18.9,1.32,;24.23,4.41,;24.22,5.95,;25.57,3.65,;26.9,4.42,;28.44,4.42,;27.66,5.75,)|
Show InChI InChI=1S/C22H24F3N5O/c1-11-14(8-12(9-15(11)23)20(31)26-13-6-7-13)17-16(24)10-30-19(18(17)25)27-28-21(30)22(2,3)29(4)5/h8-10,13H,6-7H2,1-5H3,(H,26,31)
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n/an/a 15n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420743
PNG
(CHEMBL2087521)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)N)C(=O)NC1CC1
Show InChI InChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27)
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n/an/a 15.4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420739
PNG
(CHEMBL2087500)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26)
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420774
PNG
(CHEMBL2087525)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28)
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n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420771
PNG
(CHEMBL2087517)
Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26)
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n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142613
PNG
(US8933228, 29)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1(C)CC1
Show InChI InChI=1S/C32H27N7O3/c1-19-7-9-20(10-8-19)39-27(17-26(38-39)32(2)14-15-32)36-31(41)35-23-11-12-24(22-6-4-3-5-21(22)23)42-25-13-16-33-30-29(25)34-18-28(40)37-30/h3-13,16-18H,14-15H2,1-2H3,(H,33,37,40)(H2,35,36,41)
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US Patent
n/an/a 19n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
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n/an/a 20n/an/an/an/an/an/a



Celera





J Mol Biol 329: 93-120 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420762
PNG
(CHEMBL2087508)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26)
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n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142622
PNG
(US8933228, 13)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C28H27Cl2N7O4/c1-28(2,3)20-14-21(37(35-20)15-6-8-16(40-5)9-7-15)33-26(38)32-17-10-11-18(23(30)22(17)29)41-19-12-13-31-25-24(19)36(4)27(39)34-25/h6-14H,1-5H3,(H,31,34,39)(H2,32,33,38)
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n/an/a 23n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420751
PNG
(CHEMBL2087745)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1 |(-8.4,1.03,;-7.07,1.8,;-7.06,3.35,;-8.4,4.12,;-5.73,4.12,;-4.4,3.35,;-4.39,1.8,;-5.73,1.03,;-5.73,-.51,;-4.4,-1.27,;-3.07,-.5,;-4.41,-2.82,;-5.75,-3.59,;-6.08,-5.09,;-7.61,-5.24,;-8.22,-3.83,;-7.08,-2.81,;-7.08,-1.27,;-8.41,-.5,;-5.27,-6.39,;-3.74,-6.33,;-2.93,-7.63,;-3.65,-8.99,;-5.19,-9.04,;-6,-7.74,;-7.54,-7.78,;-3.07,4.13,;-3.07,5.67,;-1.73,3.37,;-.4,4.14,;1.14,4.14,;.37,5.47,)|
Show InChI InChI=1S/C22H15ClF3N5O/c1-10-14(6-11(7-16(10)24)22(32)28-12-2-3-12)18-17(25)9-31-20(29-30-21(31)19(18)26)13-4-5-27-8-15(13)23/h4-9,12H,2-3H2,1H3,(H,28,32)
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n/an/a 23n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142626
PNG
(US8933228, 18)
Show SMILES COc1cc(ccc1CO)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O5/c1-33(2,3)27-16-28(40(39-27)20-10-9-19(18-41)26(15-20)44-4)37-32(43)36-23-11-12-24(22-8-6-5-7-21(22)23)45-25-13-14-34-31-30(25)35-17-29(42)38-31/h5-17,41H,18H2,1-4H3,(H,34,38,42)(H2,36,37,43)
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n/an/a 24n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142601
PNG
(US8933228, 3)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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n/an/a 24n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
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n/an/a 26n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420759
PNG
(CHEMBL2087504)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O/c1-12-2-3-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,21,25)
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n/an/a 26n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
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n/an/a 26n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420757
PNG
(CHEMBL2087502)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25)
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n/an/a 27n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM192498
PNG
(US9187470, 89)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCN2CCOCC2)s1)C(C)(C)C
Show InChI InChI=1S/C24H32N6O2S/c1-17-5-7-18(8-6-17)30-21(15-20(28-30)24(2,3)4)26-22(31)27-23-25-16-19(33-23)9-10-29-11-13-32-14-12-29/h5-8,15-16H,9-14H2,1-4H3,(H2,25,26,27,31)
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n/an/a 27.5n/an/an/an/an/a25



Washington University

US Patent


Assay Description
The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...


US Patent US9187470 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
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n/an/a 28n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142610
PNG
(US8933228, 26)
Show SMILES CNS(=O)(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H32N8O5S/c1-33(2,3)27-17-28(41(40-27)21-11-9-20(10-12-21)19-47(44,45)34-4)38-32(43)37-24-13-14-25(23-8-6-5-7-22(23)24)46-26-15-16-35-31-30(26)36-18-29(42)39-31/h5-18,34H,19H2,1-4H3,(H,35,39,42)(H2,37,38,43)
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n/an/a 29n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair
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