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Compile Data Set for Download or QSAR

Found 332 hits of ic50 data for polymerid = 1733,1733,4481   
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


(Homo sapiens (Human))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type p38beta (unknown origin)


J Biol Chem 282: 34663-71 (2007)


Article DOI: 10.1074/jbc.M704236200
BindingDB Entry DOI: 10.7270/Q2G44Q2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605782
PNG
(CHEMBL5174953)
Show SMILES C[C@H]1CCC[C@@H](C)N1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cnn(CCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605748
PNG
(CHEMBL5206328)
Show SMILES CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)cn12 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605781
PNG
(CHEMBL5202475)
Show SMILES C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cnn(CCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50175745
PNG
(7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophen...)
Show SMILES CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.3,.54,;3.97,-.23,;4.75,-1.56,;3.2,1.1,;2.64,-1,;2.64,-2.54,;1.31,-3.31,;-.03,-2.54,;-.04,-1.01,;1.3,-.23,;-1.36,-3.31,;-1.35,-4.86,;-2.69,-5.64,;-2.69,-7.17,;-4.03,-7.94,;-4.03,-9.48,;-2.69,-10.25,;-2.69,-11.79,;-1.35,-9.47,;-1.36,-7.94,;-.03,-7.16,;-4.03,-4.86,;-5.36,-5.63,;-6.69,-4.85,;-6.69,-3.31,;-8.02,-2.53,;-5.34,-2.55,;-5.33,-1.01,;-6.66,-.24,;-8,-1,;-6.66,1.3,;-5.31,2.07,;-3.98,1.29,;-3.99,-.25,;-2.67,-1.03,;-4.02,-3.32,;-2.69,-2.55,)|
Show InChI InChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(33)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild type p38beta (unknown origin)


J Biol Chem 282: 34663-71 (2007)


Article DOI: 10.1074/jbc.M704236200
BindingDB Entry DOI: 10.7270/Q2G44Q2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605756
PNG
(CHEMBL5184542)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCCCC4)n3c2)c2ccccc12)C(C)(C)C |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605761
PNG
(CHEMBL5197888)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCC(CO)CC4)n3c2)c2ccccc12)C(C)(C)C |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50605772
PNG
(CHEMBL5208103)
Show SMILES C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cccc(OCCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38beta


Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16530
PNG
(2-arylpyridazin-3-one, 36 | N-{3-[(2-chlorophenyl)...)
Show SMILES FC(F)(F)C1CCC(CC1)C(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl |(13.52,-3.17,;12.75,-4.5,;14.08,-5.27,;11.98,-5.84,;11.41,-3.73,;11.41,-2.19,;10.08,-1.42,;8.74,-2.19,;8.74,-3.73,;10.08,-4.5,;7.41,-1.42,;7.41,.12,;6.08,-2.19,;4.74,-1.42,;3.41,-2.19,;2.08,-1.42,;.74,-2.19,;-.59,-1.42,;-1.92,-2.19,;-3.26,-1.42,;-3.26,.12,;-4.59,.89,;-1.92,.89,;-.59,.12,;-1.92,2.43,;-.59,3.2,;-.59,4.74,;-1.92,5.51,;-3.26,4.74,;-3.26,3.2,;-4.59,2.43,;.74,-3.73,;-.59,-4.5,;-.59,-6.04,;.74,-6.81,;2.08,-6.04,;2.08,-4.5,;3.41,-3.73,)|
Show InChI InChI=1S/C27H27Cl2F3N4O2/c28-20-6-1-3-8-22(20)35(24-14-15-25(37)36(34-24)23-9-4-2-7-21(23)29)17-5-16-33-26(38)18-10-12-19(13-11-18)27(30,31)32/h1-4,6-9,14-15,18-19H,5,10-13,16-17H2,(H,33,38)
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n/an/a 2n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38beta (unknown origin)


Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50492386
PNG
(CHEMBL2401979)
Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50313107
PNG
(4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...)
Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|
Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta


Bioorg Med Chem Lett 20: 1680-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.059
BindingDB Entry DOI: 10.7270/Q2348KG8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50492386
PNG
(CHEMBL2401979)
Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38beta (unknown origin)


Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 7n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38beta2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Homo sapiens (Human))
BDBM50071873
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 8: 2689-94 (1999)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Mus musculus (mouse))
BDBM50317579
PNG
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)
Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)|
Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H
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n/an/a 9.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(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 9.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 9.80n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of p38beta (unknown origin)


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50071867
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O2S/c1-28(26,27)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 8: 2689-94 (1999)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50331622
PNG
(5-amino-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)
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n/an/a 10n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 10n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of p38-beta (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBR...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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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n/an/a 12n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of p38beta (unknown origin)


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50376227
PNG
(CHEMBL412281)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50099349
PNG
(2-(2,3-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16524
PNG
(2-arylpyridazin-3-one, 30 | 2-{3-[(2-chlorophenyl)...)
Show SMILES Clc1ccccc1N(CCCN1C(=O)c2ccccc2C1=O)c1ccc(=O)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H20Cl2N4O3/c28-20-10-3-5-12-22(20)31(16-7-17-32-26(35)18-8-1-2-9-19(18)27(32)36)24-14-15-25(34)33(30-24)23-13-6-4-11-21(23)29/h1-6,8-15H,7,16-17H2
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n/an/a 15n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM50317588
PNG
(6-(2,4-difluorophenyl)-1-(2-fluoro-5-(5-methyl-1,3...)
Show SMILES Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(31.09,6.57,;30.64,5.09,;31.57,3.86,;30.68,2.6,;29.21,3.05,;29.18,4.59,;27.88,2.28,;26.54,3.06,;25.2,2.28,;25.21,.74,;23.87,-.03,;26.54,-.02,;27.87,.74,;26.54,-1.56,;27.87,-2.34,;29.19,-1.58,;30.52,-2.34,;30.52,-3.88,;29.19,-4.65,;29.19,-6.19,;27.85,-6.96,;27.85,-8.5,;29.19,-9.27,;29.19,-10.81,;30.53,-8.49,;30.52,-6.95,;31.85,-6.18,;27.86,-3.88,;26.54,-4.65,;25.21,-3.88,;25.21,-2.34,;23.87,-1.58,)|
Show InChI InChI=1S/C24H14F3N3O2/c1-13-28-29-24(32-13)14-5-8-18(26)17(11-14)23-21-4-2-3-20(30(21)10-9-22(23)31)16-7-6-15(25)12-19(16)27/h2-12H,1H3
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n/an/a 15.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Homo sapiens (Human))
BDBM50556597
PNG
(CHEMBL4756586)
Show SMILES CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal NanoLuc-fused full length p38beta (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112721
BindingDB Entry DOI: 10.7270/Q24X5CGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM50317583
PNG
(1-(2,6-difluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)p...)
Show SMILES Cc1nnc(o1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(-7.52,-29.92,;-6.62,-31.17,;-5.08,-31.17,;-4.6,-32.63,;-5.84,-33.54,;-7.09,-32.63,;-5.85,-35.08,;-4.51,-35.86,;-4.51,-37.39,;-3.18,-38.17,;-5.85,-38.16,;-7.18,-37.4,;-8.51,-38.17,;-7.19,-35.86,;-5.85,-39.7,;-4.52,-40.48,;-3.2,-39.71,;-1.87,-40.47,;-1.87,-42.02,;-3.2,-42.78,;-3.2,-44.32,;-4.53,-45.09,;-4.54,-46.63,;-3.2,-47.4,;-3.2,-48.94,;-1.86,-46.62,;-1.87,-45.09,;-.54,-44.31,;-4.52,-42.02,;-5.85,-42.78,;-7.18,-42.02,;-7.18,-40.48,;-8.52,-39.71,)|
Show InChI InChI=1S/C24H13F4N3O2/c1-12-29-30-24(33-12)13-9-17(27)22(18(28)10-13)23-20-4-2-3-19(31(20)8-7-21(23)32)15-6-5-14(25)11-16(15)26/h2-11H,1H3
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Homo sapiens (Human))
BDBM50492393
PNG
(CHEMBL2401978)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc(s1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50348880
PNG
(CHEMBL1807446)
Show SMILES Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O2/c1-15-8-9-18(25(32)28-19-10-11-19)12-21(15)29-24-22-16(2)20(13-30(22)27-14-26-24)23(31)17-6-4-3-5-7-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,28,32)(H,26,27,29)
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PubMed
n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38beta


Bioorg Med Chem Lett 21: 4633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.091
BindingDB Entry DOI: 10.7270/Q2WS8TMN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16525
PNG
(2-arylpyridazin-3-one, 31 | 2-{3-[(2-chloro-4-fluo...)
Show SMILES Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C27H19Cl2FN4O3/c28-20-8-3-4-9-23(20)34-25(35)13-12-24(31-34)32(22-11-10-17(30)16-21(22)29)14-5-15-33-26(36)18-6-1-2-7-19(18)27(33)37/h1-4,6-13,16H,5,14-15H2
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n/an/a 20n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38beta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50361467
PNG
(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta MAPK


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50099334
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3
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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Mus musculus (mouse))
BDBM50122916
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2)


J Med Chem 46: 349-52 (2003)


Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16529
PNG
(2-arylpyridazin-3-one, 35 | N-{3-[(2-chlorophenyl)...)
Show SMILES Clc1ccccc1N(CCCNC(=O)C1CCNCC1)c1ccc(=O)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2/c26-19-6-1-3-8-21(19)31(17-5-14-29-25(34)18-12-15-28-16-13-18)23-10-11-24(33)32(30-23)22-9-4-2-7-20(22)27/h1-4,6-11,18,28H,5,12-17H2,(H,29,34)
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n/an/a 29n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16527
PNG
(2-arylpyridazin-3-one, 33 | N-{3-[(2-chlorophenyl)...)
Show SMILES CNCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c1-25-15-21(30)26-13-6-14-28(18-9-4-2-7-16(18)23)20-11-12-22(31)29(27-20)19-10-5-3-8-17(19)24/h2-5,7-12,25H,6,13-15H2,1H3,(H,26,30)
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n/an/a 29n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16528
PNG
(2-arylpyridazin-3-one, 34 | N-{3-[(2-chlorophenyl)...)
Show SMILES Clc1ccccc1N(CCCNC(=O)C1CCCN1)c1ccc(=O)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C24H25Cl2N5O2/c25-17-7-1-3-10-20(17)30(16-6-15-28-24(33)19-9-5-14-27-19)22-12-13-23(32)31(29-22)21-11-4-2-8-18(21)26/h1-4,7-8,10-13,19,27H,5-6,9,14-16H2,(H,28,33)
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n/an/a 31n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 32n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 33.1n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human p38beta using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 36n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38beta by Z'-LYTE assay


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta 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 11


(Homo sapiens (Human))
BDBM50284506
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01173
BindingDB Entry DOI: 10.7270/Q2P84GZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM16526
PNG
(2-amino-N-{3-[(2-chlorophenyl)[1-(2-chlorophenyl)-...)
Show SMILES NCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C21H21Cl2N5O2/c22-15-6-1-3-8-17(15)27(13-5-12-25-20(29)14-24)19-10-11-21(30)28(26-19)18-9-4-2-7-16(18)23/h1-4,6-11H,5,12-14,24H2,(H,25,29)
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n/an/a 41n/an/an/an/an/an/a



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: 5809-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.074
BindingDB Entry DOI: 10.7270/Q28P5XSC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 44n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01173
BindingDB Entry DOI: 10.7270/Q2P84GZF
More data for this
Ligand-Target Pair
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