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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'dixon' and Initial = 'ec'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50122920
PNG
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 14


(Mus musculus (mouse))
BDBM50122915
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 14


(Mus musculus (mouse))
BDBM50122914
PNG
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 14


(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 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122915
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 14


(Mus musculus (mouse))
BDBM50122922
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)|
Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 14


(Mus musculus (mouse))
BDBM50122908
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
Show InChI InChI=1S/C24H18ClFN4O/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/h2-10,13-14H,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122914
PNG
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
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 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 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 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50122918
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)|
Show InChI InChI=1S/C23H12Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-12H
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122908
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
Show InChI InChI=1S/C24H18ClFN4O/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/h2-10,13-14H,11-12H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 14


(Mus musculus (mouse))
BDBM50122920
PNG
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 14


(Mus musculus (mouse))
BDBM50122913
PNG
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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))
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 14


(Mus musculus (mouse))
BDBM50122911
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16|
Show InChI InChI=1S/C23H14Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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))
BDBM50122920
PNG
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3
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n/an/a 44n/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 14


(Mus musculus (mouse))
BDBM50122910
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...)
Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)|
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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))
BDBM50122915
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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n/an/a 63n/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))
BDBM50122922
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)|
Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H
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n/an/a 64n/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 11/12/13/14


(Homo sapiens (Human))
BDBM50122913
PNG
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122910
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...)
Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)|
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 14


(Mus musculus (mouse))
BDBM50122923
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-5-1-2-6-19(16)30-21(31)11-10-18(28-30)23-22(15-9-8-14(26)13-17(15)25)27-20-7-3-4-12-29(20)23/h1-13H
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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))
BDBM50122914
PNG
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
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n/an/a 78n/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))
BDBM50122908
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
Show InChI InChI=1S/C24H18ClFN4O/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/h2-10,13-14H,11-12H2,1H3
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n/an/a 94n/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 11/12/13/14


(Homo sapiens (Human))
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 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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))
BDBM50122918
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)|
Show InChI InChI=1S/C23H12Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-12H
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n/an/a 112n/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))
BDBM50122913
PNG
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3
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n/an/a 140n/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 11/12/13/14


(Homo sapiens (Human))
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 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release by THP-1 cells


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
3D
3D Structure (crystal)
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM50122910
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...)
Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)|
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H
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n/an/a 153n/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 11/12/13/14


(Homo sapiens (Human))
BDBM50122923
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-5-1-2-6-19(16)30-21(31)11-10-18(28-30)23-22(15-9-8-14(26)13-17(15)25)27-20-7-3-4-12-29(20)23/h1-13H
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122922
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)|
Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
BDBM50024264
PNG
(CHEMBL332391)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1cccc(Cl)c1Cl |c:9|
Show InChI InChI=1S/C24H18Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-11,14H,12-13H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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))
BDBM50122923
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-5-1-2-6-19(16)30-21(31)11-10-18(28-30)23-22(15-9-8-14(26)13-17(15)25)27-20-7-3-4-12-29(20)23/h1-13H
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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 14


(Mus musculus (mouse))
BDBM50122921
PNG
(2-(2-Chloro-phenyl)-6-[2-(3-trifluoromethyl-phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1C1=NN(C(=O)CC1)c1ccccc1Cl |t:22|
Show InChI InChI=1S/C24H16ClF3N4O/c25-17-8-1-2-9-19(17)32-21(33)12-11-18(30-32)23-22(29-20-10-3-4-13-31(20)23)15-6-5-7-16(14-15)24(26,27)28/h1-10,13-14H,11-12H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122911
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16|
Show InChI InChI=1S/C23H14Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122915
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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n/an/a 205n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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 14


(Mus musculus (mouse))
BDBM50122919
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2ccccc2Cl)c(Cl)c1 |t:16|
Show InChI InChI=1S/C23H15Cl2FN4O/c24-16-5-1-2-6-19(16)30-21(31)11-10-18(28-30)23-22(15-9-8-14(26)13-17(15)25)27-20-7-3-4-12-29(20)23/h1-9,12-13H,10-11H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122908
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
Show InChI InChI=1S/C24H18ClFN4O/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/h2-10,13-14H,11-12H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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 14


(Mus musculus (mouse))
BDBM50122912
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,3-dichloro-phenyl)...)
Show SMILES Clc1cccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c1Cl |(7.11,-11.19,;6.94,-9.65,;5.53,-9.02,;5.38,-7.48,;6.63,-6.58,;8.03,-7.22,;9.28,-6.33,;10.74,-6.8,;11.65,-5.57,;13.18,-5.42,;13.81,-4.02,;12.91,-2.76,;11.38,-2.92,;10.75,-4.3,;9.28,-4.79,;7.96,-4,;6.62,-4.77,;5.29,-3.99,;5.3,-2.46,;3.97,-1.68,;6.63,-1.69,;7.97,-2.45,;6.63,-.15,;7.97,.62,;9.3,-.15,;7.97,2.16,;6.63,2.93,;5.3,2.16,;5.3,.62,;3.95,-.15,;8.18,-8.74,;9.6,-9.37,)|
Show InChI InChI=1S/C23H12Cl4N4O/c24-14-6-3-5-13(20(14)27)21-23(30-12-2-1-9-18(30)28-21)17-10-11-19(32)31(29-17)22-15(25)7-4-8-16(22)26/h1-12H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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 14


(Mus musculus (mouse))
BDBM50122924
PNG
(2-(2-Chloro-phenyl)-6-[2-(3-trifluoromethyl-phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C24H14ClF3N4O/c25-17-8-1-2-9-19(17)32-21(33)12-11-18(30-32)23-22(29-20-10-3-4-13-31(20)23)15-6-5-7-16(14-15)24(26,27)28/h1-14H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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))
BDBM50122921
PNG
(2-(2-Chloro-phenyl)-6-[2-(3-trifluoromethyl-phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1C1=NN(C(=O)CC1)c1ccccc1Cl |t:22|
Show InChI InChI=1S/C24H16ClF3N4O/c25-17-8-1-2-9-19(17)32-21(33)12-11-18(30-32)23-22(29-20-10-3-4-13-31(20)23)15-6-5-7-16(14-15)24(26,27)28/h1-10,13-14H,11-12H2
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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 11/12/13/14


(Homo sapiens (Human))
BDBM50122919
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2ccccc2Cl)c(Cl)c1 |t:16|
Show InChI InChI=1S/C23H15Cl2FN4O/c24-16-5-1-2-6-19(16)30-21(31)11-10-18(28-30)23-22(15-9-8-14(26)13-17(15)25)27-20-7-3-4-12-29(20)23/h1-9,12-13H,10-11H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122914
PNG
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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 11/12/13/14


(Homo sapiens (Human))
BDBM50122920
PNG
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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))
BDBM50122911
PNG
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16|
Show InChI InChI=1S/C23H14Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
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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 11/12/13/14


(Homo sapiens (Human))
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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
3D
3D Structure (crystal)
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50122913
PNG
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood


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))
BDBM50122912
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(2,3-dichloro-phenyl)...)
Show SMILES Clc1cccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c1Cl |(7.11,-11.19,;6.94,-9.65,;5.53,-9.02,;5.38,-7.48,;6.63,-6.58,;8.03,-7.22,;9.28,-6.33,;10.74,-6.8,;11.65,-5.57,;13.18,-5.42,;13.81,-4.02,;12.91,-2.76,;11.38,-2.92,;10.75,-4.3,;9.28,-4.79,;7.96,-4,;6.62,-4.77,;5.29,-3.99,;5.3,-2.46,;3.97,-1.68,;6.63,-1.69,;7.97,-2.45,;6.63,-.15,;7.97,.62,;9.3,-.15,;7.97,2.16,;6.63,2.93,;5.3,2.16,;5.3,.62,;3.95,-.15,;8.18,-8.74,;9.6,-9.37,)|
Show InChI InChI=1S/C23H12Cl4N4O/c24-14-6-3-5-13(20(14)27)21-23(30-12-2-1-9-18(30)28-21)17-10-11-19(32)31(29-17)22-15(25)7-4-8-16(22)26/h1-12H
PDB
MMDB

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n/an/a 890n/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 14


(Mus musculus (mouse))
BDBM50122925
PNG
(2-(2,6-Dichloro-phenyl)-6-[2-(3-trifluoromethyl-ph...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(10.07,-19.59,;9.93,-18.19,;8.79,-19.34,;11.28,-19.08,;9.77,-16.67,;8.36,-16.04,;8.2,-14.5,;9.45,-13.59,;10.86,-14.24,;11,-15.77,;12.1,-13.34,;13.56,-13.83,;14.47,-12.59,;16,-12.43,;16.63,-11.03,;15.73,-9.78,;14.2,-9.93,;13.57,-11.33,;12.1,-11.8,;10.79,-11.02,;9.44,-11.79,;8.11,-11,;8.12,-9.48,;6.79,-8.69,;9.45,-8.72,;10.79,-9.46,;9.45,-7.17,;8.12,-6.4,;6.78,-7.17,;8.12,-4.86,;9.45,-4.09,;10.79,-4.86,;10.79,-6.4,;12.12,-7.17,)|
Show InChI InChI=1S/C24H13Cl2F3N4O/c25-16-7-4-8-17(26)22(16)33-20(34)11-10-18(31-33)23-21(30-19-9-1-2-12-32(19)23)14-5-3-6-15(13-14)24(27,28)29/h1-13H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...


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
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