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PubMed code 19969459

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 14


(Homo sapiens (Human))
BDBM50305692
PNG
(3-tert-butyl-6-(2,4-difluorophenylthio)-[1,2,4]tri...)
Show SMILES CC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C16H15F2N3S/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18/h4-9H,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305696
PNG
(3-(2,4-difluorophenyl)-6-(2,4-difluorophenylthio)-...)
Show SMILES Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1
Show InChI InChI=1S/C18H9F4N3S/c19-10-1-4-13(14(21)7-10)18-24-23-17-6-3-12(9-25(17)18)26-16-5-2-11(20)8-15(16)22/h1-9H
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305704
PNG
(CHEMBL595338 | methyl 3-(6-(2,4-difluorophenylthio...)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C21H15F2N3O2S/c1-12-3-4-13(21(27)28-2)9-16(12)20-25-24-19-8-6-15(11-26(19)20)29-18-7-5-14(22)10-17(18)23/h3-11H,1-2H3
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n/an/a 7.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305720
PNG
(5-chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1...)
Show SMILES CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)c(Cl)n12
Show InChI InChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-13-6-5-12(14(16)21(13)15)22-11-4-3-9(17)7-10(11)18/h3-8H,1-2H3
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n/an/a 12.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305694
PNG
(6-(2,4-difluorophenylthio)-3-(2-methylpent-4-en-2-...)
Show SMILES CC(C)(CC=C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C18H17F2N3S/c1-4-9-18(2,3)17-22-21-16-8-6-13(11-23(16)17)24-15-7-5-12(19)10-14(15)20/h4-8,10-11H,1,9H2,2-3H3
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n/an/a 16.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305709
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(=O)NCCO
Show InChI InChI=1S/C22H18F2N4O2S/c1-13-2-3-14(22(30)25-8-9-29)10-17(13)21-27-26-20-7-5-16(12-28(20)21)31-19-6-4-15(23)11-18(19)24/h2-7,10-12,29H,8-9H2,1H3,(H,25,30)
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n/an/a 20.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305693
PNG
(6-(2,4-difluorophenylthio)-3-(1-methylcyclopropyl)...)
Show SMILES CC1(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C16H13F2N3S/c1-16(6-7-16)15-20-19-14-5-3-11(9-21(14)15)22-13-4-2-10(17)8-12(13)18/h2-5,8-9H,6-7H2,1H3
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n/an/a 24.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305729
PNG
(6-(2,4-difluorobenzyl)-3-isopropyl-1,8a-dihydro-[1...)
Show SMILES CC(C)c1nnc2CCC(Cc3ccc(F)cc3F)=Cn12 |c:19|
Show InChI InChI=1S/C16H17F2N3/c1-10(2)16-20-19-15-6-3-11(9-21(15)16)7-12-4-5-13(17)8-14(12)18/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 26.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305699
PNG
(1-(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4...)
Show SMILES Cc1cc(ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(O)CO
Show InChI InChI=1S/C21H17F2N3O2S/c1-12-8-13(18(28)11-27)2-5-16(12)21-25-24-20-7-4-15(10-26(20)21)29-19-6-3-14(22)9-17(19)23/h2-10,18,27-28H,11H2,1H3
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n/an/a 28.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305700
PNG
(2-(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4...)
Show SMILES Cc1cc(CNCCO)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C22H20F2N4OS/c1-14-10-15(12-25-8-9-29)2-5-18(14)22-27-26-21-7-4-17(13-28(21)22)30-20-6-3-16(23)11-19(20)24/h2-7,10-11,13,25,29H,8-9,12H2,1H3
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n/an/a 33.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305707
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C21H16F2N4OS/c1-12-3-4-13(21(28)24-2)9-16(12)20-26-25-19-8-6-15(11-27(19)20)29-18-7-5-14(22)10-17(18)23/h3-11H,1-2H3,(H,24,28)
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n/an/a 39.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305708
PNG
(CHEMBL603640 | N-(2-amino-2-oxoethyl)-3-(6-(2,4-di...)
Show SMILES Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(=O)NCC(N)=O
Show InChI InChI=1S/C22H17F2N5O2S/c1-12-2-3-13(22(31)26-10-19(25)30)8-16(12)21-28-27-20-7-5-15(11-29(20)21)32-18-6-4-14(23)9-17(18)24/h2-9,11H,10H2,1H3,(H2,25,30)(H,26,31)
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n/an/a 46.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305706
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(N)=O
Show InChI InChI=1S/C20H14F2N4OS/c1-11-2-3-12(19(23)27)8-15(11)20-25-24-18-7-5-14(10-26(18)20)28-17-6-4-13(21)9-16(17)22/h2-10H,1H3,(H2,23,27)
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n/an/a 60.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305691
PNG
(6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]tria...)
Show SMILES CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C15H13F2N3S/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
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n/an/a 79.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305730
PNG
(6-(2,4-difluorophenethyl)-3-isopropyl-1,8a-dihydro...)
Show SMILES CC(C)c1nnc2CCC(CCc3ccc(F)cc3F)=Cn12 |c:20|
Show InChI InChI=1S/C17H19F2N3/c1-11(2)17-21-20-16-8-4-12(10-22(16)17)3-5-13-6-7-14(18)9-15(13)19/h6-7,9-11H,3-5,8H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305698
PNG
(6-(2,4-difluorophenylthio)-3-(2-methyl-4-vinylphen...)
Show SMILES Cc1cc(C=C)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C21H15F2N3S/c1-3-14-4-7-17(13(2)10-14)21-25-24-20-9-6-16(12-26(20)21)27-19-8-5-15(22)11-18(19)23/h3-12H,1H2,2H3
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n/an/a 106n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305697
PNG
(3-(4-bromo-2-methylphenyl)-6-(2,4-difluorophenylth...)
Show SMILES Cc1cc(Br)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H12BrF2N3S/c1-11-8-12(20)2-5-15(11)19-24-23-18-7-4-14(10-25(18)19)26-17-6-3-13(21)9-16(17)22/h2-10H,1H3
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n/an/a 141n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305701
PNG
(CHEMBL593218 | methyl 3-(6-(2,4-difluorophenylthio...)
Show SMILES COC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C20H13F2N3O2S/c1-27-20(26)13-4-2-3-12(9-13)19-24-23-18-8-6-15(11-25(18)19)28-17-7-5-14(21)10-16(17)22/h2-11H,1H3
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n/an/a 181n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305712
PNG
(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES NC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H12F2N4OS/c20-13-5-7-16(15(21)9-13)27-14-6-8-17-23-24-19(25(17)10-14)12-3-1-11(2-4-12)18(22)26/h1-10H,(H2,22,26)
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n/an/a 201n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305716
PNG
(1-(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4...)
Show SMILES OCC(=O)N1CCC(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H18F2N4O2S/c20-13-1-3-16(15(21)9-13)28-14-2-4-17-22-23-19(25(17)10-14)12-5-7-24(8-6-12)18(27)11-26/h1-4,9-10,12,26H,5-8,11H2
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n/an/a 212n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305703
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES NC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H12F2N4OS/c20-13-4-6-16(15(21)9-13)27-14-5-7-17-23-24-19(25(17)10-14)12-3-1-2-11(8-12)18(22)26/h1-10H,(H2,22,26)
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n/an/a 241n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305713
PNG
(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C20H14F2N4OS/c1-23-20(27)13-4-2-12(3-5-13)19-25-24-18-9-7-15(11-26(18)19)28-17-8-6-14(21)10-16(17)22/h2-11H,1H3,(H,23,27)
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n/an/a 293n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305710
PNG
(CHEMBL594387 | methyl 4-(6-(2,4-difluorophenylthio...)
Show SMILES COC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C20H13F2N3O2S/c1-27-20(26)13-4-2-12(3-5-13)19-24-23-18-9-7-15(11-25(18)19)28-17-8-6-14(21)10-16(17)22/h2-11H,1H3
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n/an/a 322n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305715
PNG
(2-(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4...)
Show SMILES CC(=O)OCC(=O)N1CCC(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C21H20F2N4O3S/c1-13(28)30-12-20(29)26-8-6-14(7-9-26)21-25-24-19-5-3-16(11-27(19)21)31-18-4-2-15(22)10-17(18)23/h2-5,10-11,14H,6-9,12H2,1H3
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n/an/a 367n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305721
PNG
(7-chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1...)
Show SMILES CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-14-6-10(16)13(7-21(14)15)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3
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n/an/a 889n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305724
PNG
((2,4-difluorophenyl)(3-isopropyl-[1,2,4]triazolo[4...)
Show SMILES CC(C)c1nnc2ccc(cn12)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2N3O/c1-9(2)16-20-19-14-6-3-10(8-21(14)16)15(22)12-5-4-11(17)7-13(12)18/h3-9H,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305711
PNG
(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H11F2N3O2S/c20-13-5-7-16(15(21)9-13)27-14-6-8-17-22-23-18(24(17)10-14)11-1-3-12(4-2-11)19(25)26/h1-10H,(H,25,26)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305695
PNG
(4-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES CC(C)(CC(O)CO)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C18H19F2N3O2S/c1-18(2,8-12(25)10-24)17-22-21-16-6-4-13(9-23(16)17)26-15-5-3-11(19)7-14(15)20/h3-7,9,12,24-25H,8,10H2,1-2H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305705
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(O)=O
Show InChI InChI=1S/C20H13F2N3O2S/c1-11-2-3-12(20(26)27)8-15(11)19-24-23-18-7-5-14(10-25(18)19)28-17-6-4-13(21)9-16(17)22/h2-10H,1H3,(H,26,27)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305722
PNG
(5,7-dichloro-6-(2,4-difluorophenylthio)-3-isopropy...)
Show SMILES CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Cl)n12
Show InChI InChI=1S/C15H11Cl2F2N3S/c1-7(2)15-21-20-12-6-9(16)13(14(17)22(12)15)23-11-4-3-8(18)5-10(11)19/h3-7H,1-2H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305714
PNG
(6-(2,4-difluorophenylthio)-3-(piperidin-4-yl)-[1,2...)
Show SMILES Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1
Show InChI InChI=1S/C17H16F2N4S/c18-12-1-3-15(14(19)9-12)24-13-2-4-16-21-22-17(23(16)10-13)11-5-7-20-8-6-11/h1-4,9-11,20H,5-8H2
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n/an/a 3.77E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305723
PNG
(5-bromo-7-chloro-6-(2,4-difluorophenylthio)-3-isop...)
Show SMILES CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Br)n12
Show InChI InChI=1S/C15H11BrClF2N3S/c1-7(2)15-21-20-12-6-9(17)13(14(16)22(12)15)23-11-4-3-8(18)5-10(11)19/h3-7H,1-2H3
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n/an/a 6.08E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305728
PNG
(2-(3,5-difluorophenyl)-1-(3-isopropyl-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)C(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C17H15F2N3O/c1-10(2)17-21-20-16-4-3-12(9-22(16)17)15(23)7-11-5-13(18)8-14(19)6-11/h3-6,8-10H,7H2,1-2H3
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n/an/a 7.37E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305702
PNG
(3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-...)
Show SMILES OC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C19H11F2N3O2S/c20-13-4-6-16(15(21)9-13)27-14-5-7-17-22-23-18(24(17)10-14)11-2-1-3-12(8-11)19(25)26/h1-10H,(H,25,26)
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n/an/a 7.42E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305719
PNG
(6-(2,4-dichlorophenylthio)-3-isopropyl-[1,2,4]tria...)
Show SMILES CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12
Show InChI InChI=1S/C15H13Cl2N3S/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
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n/an/a 8.24E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305725
PNG
(6-(2,4-difluorophenylsulfinyl)-3-isopropyl-[1,2,4]...)
Show SMILES CC(C)c1nnc2ccc(cn12)S(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C15H13F2N3OS/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)22(21)13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
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n/an/a 9.68E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305718
PNG
(6-(4-fluoro-2-(trifluoromethyl)phenylthio)-3-isopr...)
Show SMILES CC(C)c1nnc2ccc(Sc3ccc(F)cc3C(F)(F)F)cn12
Show InChI InChI=1S/C16H13F4N3S/c1-9(2)15-22-21-14-6-4-11(8-23(14)15)24-13-5-3-10(17)7-12(13)16(18,19)20/h3-9H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305727
PNG
(CHEMBL596272 | N-(3,5-difluorophenyl)-3-isopropyl-...)
Show SMILES CC(C)c1nnc2ccc(cn12)C(=O)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C16H14F2N4O/c1-9(2)15-21-20-14-4-3-10(8-22(14)15)16(23)19-13-6-11(17)5-12(18)7-13/h3-9H,1-2H3,(H,19,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305726
PNG
(6-(2,4-difluorophenylsulfonyl)-3-isopropyl-[1,2,4]...)
Show SMILES CC(C)c1nnc2ccc(cn12)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C15H13F2N3O2S/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)23(21,22)13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50305717
PNG
(6-(4-bromo-2-(trifluoromethyl)phenylthio)-3-isopro...)
Show SMILES CC(C)c1nnc2ccc(Sc3ccc(Br)cc3C(F)(F)F)cn12
Show InChI InChI=1S/C16H13BrF3N3S/c1-9(2)15-22-21-14-6-4-11(8-23(14)15)24-13-5-3-10(17)7-12(13)16(18,19)20/h3-9H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha


Bioorg Med Chem Lett 20: 469-73 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.114
BindingDB Entry DOI: 10.7270/Q2G160XP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%