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Compile Data Set for Download or QSAR

Found 239 hits of ic50 for UniProtKB: P47811   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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Article
PubMed
n/an/a 0.130n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Nat Struct Biol 10: 764-9 (2003)


Article DOI: 10.1038/nsb949
BindingDB Entry DOI: 10.7270/Q2SX6BF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17060
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C25H21Cl2F2N3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(28)12-22(17)29/h1-5,10-12,14,30H,6-9,13H2,(H,31,33)
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n/an/a 0.200n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17061
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1...)
Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H27Cl2F2N3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(31)14-25(20)32)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36)
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n/an/a 0.200n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421140
PNG
(CHEMBL2088591)
Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)-c1nnc(C)o1 |(33.77,-46.54,;35.1,-47.32,;36.43,-46.55,;36.44,-45,;37.77,-44.23,;39.1,-45,;39.11,-46.55,;37.77,-47.32,;37.77,-48.85,;39.1,-49.62,;40.42,-48.85,;41.75,-49.61,;41.75,-51.14,;43.09,-51.91,;43.1,-53.45,;41.76,-54.22,;41.77,-55.76,;43.1,-56.53,;43.11,-58.07,;44.44,-55.74,;44.43,-54.21,;45.76,-53.43,;40.43,-51.91,;39.1,-51.15,;37.77,-51.93,;36.43,-51.16,;36.43,-49.62,;35.1,-48.85,;40.36,-44.1,;41.82,-44.58,;42.73,-43.34,;41.83,-42.09,;42.31,-40.63,;40.36,-42.56,)|
Show InChI InChI=1S/C24H16F2N4O4/c1-13-27-28-24(33-13)14-3-6-20(32-2)16(11-14)23-18-5-8-22(29-30(18)10-9-19(23)31)34-21-7-4-15(25)12-17(21)26/h3-12H,1-2H3
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n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17074
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H28Cl3N7O/c1-33(2)10-11-34-12-14-35(15-13-34)25-31-22(17-6-3-4-7-19(17)27)18-16-30-26(37)36(24(18)32-25)23-20(28)8-5-9-21(23)29/h3-9H,10-16H2,1-2H3,(H,30,37)
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n/an/a 0.5n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17081
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-({8-me...)
Show SMILES CN1C2CCC1CC(C2)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl3N6O/c1-34-15-9-10-16(34)12-14(11-15)31-25-32-22(17-5-2-3-6-19(17)27)18-13-30-26(36)35(24(18)33-25)23-20(28)7-4-8-21(23)29/h2-8,14-16H,9-13H2,1H3,(H,30,36)(H,31,32,33)
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n/an/a 0.5n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421141
PNG
(CHEMBL2088578)
Show SMILES COC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(46,-11.48,;44.67,-12.26,;43.33,-11.49,;43.33,-9.95,;42,-12.27,;40.67,-11.5,;39.34,-12.27,;39.34,-13.82,;38,-14.59,;36.67,-13.82,;40.67,-14.59,;42.01,-13.82,;40.67,-16.12,;42,-16.89,;43.32,-16.12,;44.65,-16.88,;44.65,-18.42,;45.99,-19.18,;46,-20.72,;44.66,-21.49,;44.67,-23.03,;46.01,-23.8,;46.01,-25.34,;47.34,-23.01,;47.33,-21.48,;48.66,-20.7,;43.33,-19.18,;42,-18.42,;40.67,-19.2,;39.33,-18.43,;39.34,-16.89,;38,-16.12,)|
Show InChI InChI=1S/C24H16F2N2O4/c1-3-14-4-5-15(24(30)31-2)12-17(14)23-19-7-9-22(27-28(19)11-10-20(23)29)32-21-8-6-16(25)13-18(21)26/h3-13H,1H2,2H3
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n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421137
PNG
(CHEMBL2088588)
Show SMILES COC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(7.25,-42.41,;5.92,-43.19,;4.58,-42.42,;4.58,-40.88,;3.25,-43.2,;1.92,-42.43,;.59,-43.21,;.59,-44.75,;-.75,-45.52,;-2.08,-44.75,;1.92,-45.52,;3.26,-44.75,;1.92,-47.06,;3.25,-47.82,;4.57,-47.05,;5.9,-47.81,;5.91,-49.35,;7.24,-50.11,;7.25,-51.65,;5.91,-52.42,;5.92,-53.96,;7.26,-54.73,;7.26,-56.27,;8.59,-53.95,;8.58,-52.41,;9.91,-51.63,;4.58,-50.12,;3.25,-49.35,;1.92,-50.14,;.59,-49.36,;.59,-47.83,;-.75,-47.05,)|
Show InChI InChI=1S/C23H16F2N2O5/c1-30-19-6-3-13(23(29)31-2)11-15(19)22-17-5-8-21(26-27(17)10-9-18(22)28)32-20-7-4-14(24)12-16(20)25/h3-12H,1-2H3
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n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17082
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[1-(p...)
Show SMILES CC(C)N1CCC(CC1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H27Cl3N6O/c1-15(2)34-12-10-16(11-13-34)31-25-32-22(17-6-3-4-7-19(17)27)18-14-30-26(36)35(24(18)33-25)23-20(28)8-5-9-21(23)29/h3-9,15-16H,10-14H2,1-2H3,(H,30,36)(H,31,32,33)
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n/an/a 0.600n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50175995
PNG
(CHEMBL199986 | N-(2,4-difluorophenyl)-3-(5-(3-(dim...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN(C)C
Show InChI InChI=1S/C23H20F2N6O/c1-31(2)10-4-5-14-6-9-20(32-3)16(11-14)21-17-13-26-23(28-22(17)30-29-21)27-19-8-7-15(24)12-18(19)25/h6-9,11-13H,10H2,1-3H3,(H2,26,27,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Bioorg Med Chem Lett 16: 262-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.015
BindingDB Entry DOI: 10.7270/Q2DJ5F6T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50194461
PNG
(7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophen...)
Show SMILES Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)|
Show InChI InChI=1S/C20H11F4N3O/c21-10-4-5-11(15(24)8-10)19-12-6-7-18(28)27(16(12)9-17(25)26-19)20-13(22)2-1-3-14(20)23/h1-9H,(H2,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50176013
PNG
(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]p...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NC1CCOCC1
Show InChI InChI=1S/C25H23F2N5O3/c1-34-21-6-2-14(25(33)28-16-8-10-35-11-9-16)12-18(21)23-17-4-7-22(30-24(17)32-31-23)29-20-5-3-15(26)13-19(20)27/h2-7,12-13,16H,8-11H2,1H3,(H,28,33)(H2,29,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Bioorg Med Chem Lett 16: 262-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.015
BindingDB Entry DOI: 10.7270/Q2DJ5F6T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17083
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,...)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H29Cl3N6O/c1-26(2)12-15(13-27(3,4)35-26)32-24-33-21(16-8-5-6-9-18(16)28)17-14-31-25(37)36(23(17)34-24)22-19(29)10-7-11-20(22)30/h5-11,15,35H,12-14H2,1-4H3,(H,31,37)(H,32,33,34)
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n/an/a 0.700n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM15242
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2
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n/an/a 0.740n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Nat Struct Biol 10: 764-9 (2003)


Article DOI: 10.1038/nsb949
BindingDB Entry DOI: 10.7270/Q2SX6BF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17068
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2-...)
Show SMILES CC(C)(C)CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H22Cl3N5O/c1-23(2,3)12-28-21-29-18(13-7-4-5-8-15(13)24)14-11-27-22(32)31(20(14)30-21)19-16(25)9-6-10-17(19)26/h4-10H,11-12H2,1-3H3,(H,27,32)(H,28,29,30)
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n/an/a 0.800n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a 0.800n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Nat Struct Biol 10: 764-9 (2003)


Article DOI: 10.1038/nsb949
BindingDB Entry DOI: 10.7270/Q2SX6BF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50176003
PNG
(CHEMBL199993 | N-(2,4-difluorophenyl)-3-(2-methoxy...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN1CCN(C)CC1
Show InChI InChI=1S/C26H25F2N7O/c1-34-10-12-35(13-11-34)9-3-4-17-5-8-23(36-2)19(14-17)24-20-16-29-26(31-25(20)33-32-24)30-22-7-6-18(27)15-21(22)28/h5-8,14-16H,9-13H2,1-2H3,(H2,29,30,31,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Bioorg Med Chem Lett 16: 262-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.015
BindingDB Entry DOI: 10.7270/Q2DJ5F6T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17056
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...)
Show SMILES COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H15Cl3N2O2/c1-28-12-9-14(13-5-2-3-6-16(13)22)15-11-25-21(27)26(19(15)10-12)20-17(23)7-4-8-18(20)24/h2-10H,11H2,1H3,(H,25,27)
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n/an/a 1n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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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n/an/a 1n/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))
BDBM17075
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H27Cl4N7O/c1-34(2)8-9-35-10-12-36(13-11-35)25-32-22(17-7-6-16(27)14-21(17)30)18-15-31-26(38)37(24(18)33-25)23-19(28)4-3-5-20(23)29/h3-7,14H,8-13,15H2,1-2H3,(H,31,38)
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n/an/a 1n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17067
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(propa...)
Show SMILES CC(C)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H18Cl3N5O/c1-11(2)26-20-27-17(12-6-3-4-7-14(12)22)13-10-25-21(30)29(19(13)28-20)18-15(23)8-5-9-16(18)24/h3-9,11H,10H2,1-2H3,(H,25,30)(H,26,27,28)
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n/an/a 1.10n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17080
PNG
(7-{1-azabicyclo[2.2.2]octan-3-ylamino}-5-(2-chloro...)
Show SMILES Clc1ccccc1-c1nc(NC2CN3CCC2CC3)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl |(1.29,-3.87,;-.05,-4.64,;-.05,-6.18,;-1.38,-6.95,;-2.71,-6.18,;-2.71,-4.64,;-1.38,-3.87,;-1.38,-2.33,;-.04,-1.57,;-.03,-.03,;1.3,.74,;2.84,.74,;3.68,1.98,;5.44,1.98,;6.41,.71,;5.48,-.48,;3.78,-.48,;5.19,.21,;4.58,.89,;-1.36,.75,;-2.7,-.01,;-4.03,.77,;-5.36,.01,;-6.69,.79,;-5.37,-1.53,;-4.05,-2.31,;-2.71,-1.55,;-4.03,2.31,;-5.36,3.08,;-6.69,2.31,;-5.36,4.62,;-4.03,5.39,;-2.69,4.62,;-2.69,3.08,;-1.36,2.31,)|
Show InChI InChI=1S/C25H23Cl3N6O/c26-17-5-2-1-4-15(17)21-16-12-29-25(35)34(22-18(27)6-3-7-19(22)28)23(16)32-24(31-21)30-20-13-33-10-8-14(20)9-11-33/h1-7,14,20H,8-13H2,(H,29,35)(H,30,31,32)
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n/an/a 1.20n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421127
PNG
(CHEMBL2088582)
Show SMILES COC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(41.55,3.13,;41.54,4.67,;40.21,5.43,;40.2,6.97,;38.87,4.66,;37.54,5.42,;36.21,4.65,;36.21,3.11,;34.87,2.34,;37.54,2.34,;38.88,3.11,;37.55,.8,;38.88,.04,;40.19,.8,;41.52,.05,;41.53,-1.49,;42.86,-2.26,;42.87,-3.8,;41.54,-4.57,;41.54,-6.11,;42.88,-6.87,;42.89,-8.41,;44.21,-6.09,;44.2,-4.55,;45.53,-3.78,;40.2,-2.26,;38.88,-1.5,;37.54,-2.28,;36.21,-1.51,;36.21,.03,;34.88,.8,)|
Show InChI InChI=1S/C22H13F3N2O4/c1-30-22(29)12-2-4-15(24)14(10-12)21-17-5-7-20(26-27(17)9-8-18(21)28)31-19-6-3-13(23)11-16(19)25/h2-11H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50317580
PNG
(4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl...)
Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cc(cc3F)C#N)c(=O)ccn12 |(-4.26,-27.22,;-4.26,-25.67,;-5.59,-24.9,;-5.59,-23.36,;-4.25,-22.59,;-2.92,-23.36,;-1.59,-22.59,;-2.92,-24.9,;-4.25,-21.05,;-2.92,-20.29,;-2.92,-18.74,;-4.25,-17.98,;-5.58,-18.75,;-6.91,-17.97,;-6.91,-16.43,;-5.57,-15.66,;-4.23,-16.43,;-5.57,-14.12,;-6.9,-13.35,;-8.24,-14.13,;-8.24,-15.66,;-9.57,-16.44,;-6.91,-11.8,;-6.91,-10.26,;-8.24,-18.75,;-9.57,-17.98,;-8.24,-20.29,;-6.91,-21.05,;-5.58,-20.29,)|
Show InChI InChI=1S/C22H10F4N2O/c23-13-4-5-14(15(24)10-13)18-2-1-3-19-22(20(29)6-7-28(18)19)21-16(25)8-12(11-27)9-17(21)26/h1-10H
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50317582
PNG
(CHEMBL1096830 | methyl 4-(6-(2,4-difluorophenyl)-2...)
Show SMILES COC(=O)c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(27.64,-9.08,;27.64,-10.62,;26.31,-11.39,;24.97,-10.62,;26.31,-12.93,;27.65,-13.7,;27.65,-15.24,;28.98,-16.01,;26.31,-16.01,;24.98,-15.25,;23.65,-16.02,;24.97,-13.71,;26.31,-17.55,;27.64,-18.33,;28.96,-17.56,;30.29,-18.32,;30.29,-19.86,;28.96,-20.63,;28.96,-22.17,;27.62,-22.94,;27.62,-24.48,;28.96,-25.25,;28.96,-26.79,;30.29,-24.47,;30.29,-22.94,;31.62,-22.16,;27.63,-19.86,;26.31,-20.63,;24.98,-19.87,;24.98,-18.33,;23.64,-17.56,)|
Show InChI InChI=1S/C23H13F4NO3/c1-31-23(30)12-9-16(26)21(17(27)10-12)22-19-4-2-3-18(28(19)8-7-20(22)29)14-6-5-13(24)11-15(14)25/h2-11H,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421139
PNG
(CHEMBL2088590)
Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(18.95,-46.3,;20.28,-47.07,;21.62,-46.31,;21.62,-44.76,;22.95,-43.99,;24.28,-44.75,;24.29,-46.3,;22.95,-47.08,;22.95,-48.61,;24.28,-49.38,;25.6,-48.61,;26.93,-49.36,;26.94,-50.9,;28.27,-51.67,;28.28,-53.21,;26.94,-53.98,;26.95,-55.52,;28.29,-56.29,;28.3,-57.83,;29.62,-55.5,;29.61,-53.97,;30.94,-53.19,;25.61,-51.67,;24.29,-50.91,;22.95,-51.69,;21.62,-50.92,;21.62,-49.38,;20.29,-48.61,;25.61,-43.98,;25.61,-42.44,;26.95,-44.74,;28.28,-43.97,;29.82,-43.96,;29.04,-42.63,)|
Show InChI InChI=1S/C25H19F2N3O4/c1-33-21-7-2-14(25(32)28-16-4-5-16)12-17(21)24-19-6-9-23(29-30(19)11-10-20(24)31)34-22-8-3-15(26)13-18(22)27/h2-3,6-13,16H,4-5H2,1H3,(H,28,32)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421138
PNG
(CHEMBL2088589)
Show SMILES CCCNC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(20.21,-42.85,;18.88,-43.63,;17.54,-42.86,;16.21,-43.64,;14.87,-42.87,;14.87,-41.33,;13.54,-43.65,;12.21,-42.89,;10.88,-43.66,;10.88,-45.2,;9.54,-45.97,;8.21,-45.2,;12.21,-45.97,;13.55,-45.2,;12.21,-47.51,;13.54,-48.27,;14.86,-47.51,;16.19,-48.26,;16.2,-49.8,;17.53,-50.56,;17.54,-52.1,;16.2,-52.88,;16.21,-54.41,;17.55,-55.18,;17.55,-56.72,;18.88,-54.4,;18.87,-52.86,;20.2,-52.08,;14.87,-50.57,;13.54,-49.81,;12.21,-50.59,;10.88,-49.81,;10.88,-48.28,;9.54,-47.5,)|
Show InChI InChI=1S/C25H21F2N3O4/c1-3-11-28-25(32)15-4-7-21(33-2)17(13-15)24-19-6-9-23(29-30(19)12-10-20(24)31)34-22-8-5-16(26)14-18(22)27/h4-10,12-14H,3,11H2,1-2H3,(H,28,32)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17069
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{1H,4H...)
Show SMILES Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCc2[nH]ncc2C1
Show InChI InChI=1S/C24H18Cl3N7O/c25-16-5-2-1-4-14(16)20-15-11-28-24(35)34(21-17(26)6-3-7-18(21)27)22(15)31-23(30-20)33-9-8-19-13(12-33)10-29-32-19/h1-7,10H,8-9,11-12H2,(H,28,35)(H,29,32)
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n/an/a 1.90n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17058
PNG
(CHEMBL94556 | Dihydro-quinazolinone analog, 7 | me...)
Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H15Cl3N2O3/c1-30-21(28)12-9-14(13-5-2-3-6-16(13)23)15-11-26-22(29)27(19(15)10-12)20-17(24)7-4-8-18(20)25/h2-10H,11H2,1H3,(H,26,29)
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17059
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydrox...)
Show SMILES Oc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H13Cl3N2O2/c21-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-24-20(27)25(18)19-16(22)6-3-7-17(19)23/h1-9,26H,10H2,(H,24,27)
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17065
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(methy...)
Show SMILES CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H14Cl3N5O/c1-23-18-25-15(10-5-2-3-6-12(10)20)11-9-24-19(28)27(17(11)26-18)16-13(21)7-4-8-14(16)22/h2-8H,9H2,1H3,(H,24,28)(H,23,25,26)
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50148700
PNG
(4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylami...)
Show SMILES C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)30-26-29-15-12-22(31-26)24-23(20-8-10-21(28)11-9-20)32-25(33-24)27(35)13-16-34(2)17-14-27/h3-12,15,18,35H,13-14,16-17H2,1-2H3,(H,32,33)(H,29,30,31)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17071
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-[(...)
Show SMILES COCCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H17Cl4N5O2/c1-32-8-7-26-20-28-17(12-6-5-11(22)9-16(12)25)13-10-27-21(31)30(19(13)29-20)18-14(23)3-2-4-15(18)24/h2-6,9H,7-8,10H2,1H3,(H,27,31)(H,26,28,29)
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17078
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(morph...)
Show SMILES Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCOCC1
Show InChI InChI=1S/C22H18Cl3N5O2/c23-15-5-2-1-4-13(15)18-14-12-26-22(31)30(19-16(24)6-3-7-17(19)25)20(14)28-21(27-18)29-8-10-32-11-9-29/h1-7H,8-12H2,(H,26,31)
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17079
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-[(...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H21Cl4N5O2/c1-12-10-32(11-13(2)35-12)23-30-20(15-7-6-14(25)8-19(15)28)16-9-29-24(34)33(22(16)31-23)21-17(26)4-3-5-18(21)27/h3-8,12-13H,9-11H2,1-2H3,(H,29,34)/t12-,13+
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n/an/a 2n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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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n/an/a 2n/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))
BDBM50421133
PNG
(CHEMBL2088575)
Show SMILES Fc1ccc(Oc2ccc3c(-c4cc(ccc4C=C)C(=O)NC4CC4)c(=O)ccn3n2)c(F)c1 |(13.19,-41.38,;13.18,-39.84,;11.85,-39.08,;11.84,-37.54,;13.17,-36.77,;13.17,-35.23,;11.83,-34.46,;11.82,-32.92,;10.5,-32.17,;9.18,-32.93,;7.85,-32.17,;7.85,-30.63,;9.18,-29.86,;9.18,-28.31,;7.84,-27.55,;6.52,-28.32,;6.51,-29.86,;5.18,-30.63,;3.85,-29.86,;10.51,-27.54,;10.5,-26,;11.85,-28.3,;13.18,-27.53,;14.72,-27.52,;13.94,-26.19,;6.51,-32.94,;5.18,-32.17,;6.51,-34.48,;7.85,-35.25,;9.18,-34.47,;10.51,-35.23,;14.51,-37.52,;15.84,-36.75,;14.52,-39.06,)|
Show InChI InChI=1S/C26H19F2N3O3/c1-2-15-3-4-16(26(33)29-18-6-7-18)13-19(15)25-21-8-10-24(30-31(21)12-11-22(25)32)34-23-9-5-17(27)14-20(23)28/h2-5,8-14,18H,1,6-7H2,(H,29,33)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421128
PNG
(CHEMBL2088583)
Show SMILES Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(-2.47,-10.49,;-2.95,-11.95,;-2.04,-13.2,;-2.96,-14.44,;-4.42,-13.96,;-4.41,-12.42,;-5.68,-14.86,;-7.01,-14.09,;-8.34,-14.86,;-8.34,-16.41,;-9.68,-17.18,;-7.01,-17.18,;-5.67,-16.41,;-7.01,-18.71,;-5.68,-19.48,;-4.36,-18.71,;-3.03,-19.47,;-3.02,-21.01,;-1.69,-21.77,;-1.68,-23.31,;-3.02,-24.08,;-3.01,-25.62,;-1.67,-26.39,;-1.66,-27.93,;-.34,-25.6,;-.35,-24.07,;.98,-23.29,;-4.35,-21.77,;-5.67,-21.01,;-7.01,-21.79,;-8.34,-21.02,;-8.34,-19.48,;-9.67,-18.71,)|
Show InChI InChI=1S/C23H13F3N4O3/c1-12-27-28-23(32-12)13-2-4-16(25)15(10-13)22-18-5-7-21(29-30(18)9-8-19(22)31)33-20-6-3-14(24)11-17(20)26/h2-11H,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM15241
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
Show InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17066
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(dimet...)
Show SMILES CN(C)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H16Cl3N5O/c1-27(2)19-25-16(11-6-3-4-7-13(11)21)12-10-24-20(29)28(18(12)26-19)17-14(22)8-5-9-15(17)23/h3-9H,10H2,1-2H3,(H,24,29)
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n/an/a 3n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM15241
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
Show InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)
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n/an/a 3.20n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Nat Struct Biol 10: 764-9 (2003)


Article DOI: 10.1038/nsb949
BindingDB Entry DOI: 10.7270/Q2SX6BF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50421132
PNG
(CHEMBL2088579)
Show SMILES CCCNC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(1.15,-29.44,;-.18,-30.21,;-1.51,-29.45,;-2.85,-30.22,;-4.18,-29.46,;-4.19,-27.92,;-5.51,-30.23,;-6.85,-29.47,;-8.18,-30.24,;-8.18,-31.78,;-9.51,-32.55,;-10.85,-31.78,;-6.84,-32.56,;-5.51,-31.78,;-6.84,-34.09,;-5.51,-34.86,;-4.2,-34.09,;-2.87,-34.84,;-2.86,-36.38,;-1.52,-37.15,;-1.52,-38.69,;-2.85,-39.46,;-2.85,-41,;-1.51,-41.76,;-1.5,-43.3,;-.17,-40.98,;-.19,-39.45,;1.14,-38.67,;-4.19,-37.15,;-5.51,-36.39,;-6.85,-37.17,;-8.18,-36.4,;-8.18,-34.86,;-9.51,-34.09,)|
Show InChI InChI=1S/C26H21F2N3O3/c1-3-12-29-26(33)17-6-5-16(4-2)19(14-17)25-21-8-10-24(30-31(21)13-11-22(25)32)34-23-9-7-18(27)15-20(23)28/h4-11,13-15H,2-3,12H2,1H3,(H,29,33)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50116037
PNG
(3,5-Difluoro-4-[5-(4-fluoro-phenyl)-4-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
Show InChI InChI=1S/C20H14F3N5/c21-12-3-1-11(2-4-12)18-13(10-5-7-26-8-6-10)9-14(27-18)15-16(22)19(24)28-20(25)17(15)23/h1-9,27H,(H4,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50148699
PNG
(4-{2-(4-Fluoro-phenyl)-1-[2-((S)-1-phenyl-ethylami...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cc(nc1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C27H29FN6O/c1-19(20-6-4-3-5-7-20)30-26-29-15-12-24(32-26)34-18-23(27(35)13-16-33(2)17-14-27)31-25(34)21-8-10-22(28)11-9-21/h3-12,15,18-19,35H,13-14,16-17H2,1-2H3,(H,29,30,32)/t19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50148703
PNG
(4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-...)
Show SMILES OC1(CCNCC1)c1nc(c(s1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4OS/c26-19-8-6-17(7-9-19)22-23(32-24(30-22)25(31)11-14-27-15-12-25)18-10-13-28-21(16-18)29-20-4-2-1-3-5-20/h6-10,13,16,20,27,31H,1-5,11-12,14-15H2,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17077
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(morph...)
Show SMILES Clc1ccccc1-c1nc(NN2CCOCC2)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H19Cl3N6O2/c23-15-5-2-1-4-13(15)18-14-12-26-22(32)31(19-16(24)6-3-7-17(19)25)20(14)28-21(27-18)29-30-8-10-33-11-9-30/h1-7H,8-12H2,(H,26,32)(H,27,28,29)
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n/an/a 4n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17070
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydrox...)
Show SMILES Clc1ccccc1-c1nc(=O)[nH]c2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H11Cl3N4O2/c19-11-5-2-1-4-9(11)14-10-8-22-18(27)25(16(10)24-17(26)23-14)15-12(20)6-3-7-13(15)21/h1-7H,8H2,(H,22,27)(H,23,24,26)
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n/an/a 4n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50116031
PNG
(3,5,6-Trifluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4...)
Show SMILES Nc1nc(F)c(F)c(-c2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
Show InChI InChI=1S/C19H11F4N5/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)27-19(26-15)12-13(21)17(23)28-18(24)14(12)22/h1-8H,(H2,24,28)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17063
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methan...)
Show SMILES CS(=O)(=O)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H13Cl3N4O3S/c1-30(28,29)18-24-15(10-5-2-3-6-12(10)20)11-9-23-19(27)26(17(11)25-18)16-13(21)7-4-8-14(16)22/h2-8H,9H2,1H3,(H,23,27)
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n/an/a 4.20n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM17073
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[2-(di...)
Show SMILES CN(C)CCOc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H20Cl3N5O2/c1-29(2)10-11-32-21-27-18(13-6-3-4-7-15(13)23)14-12-26-22(31)30(20(14)28-21)19-16(24)8-5-9-17(19)25/h3-9H,10-12H2,1-2H3,(H,26,31)
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n/an/a 4.20n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
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