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PubMed code 12643941

Compile data set for download or QSAR
Found 20 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))
BDBM50125604
PNG
(1-[9-Benzyl-2-(2-fluoro-phenyl)-9H-purin-6-yl]-1-(...)
Show SMILES NC(=O)N(c1nc(nc2n(Cc3ccccc3)cnc12)-c1ccccc1F)c1c(F)cccc1F
Show InChI InChI=1S/C25H17F3N6O/c26-17-10-5-4-9-16(17)22-31-23-20(30-14-33(23)13-15-7-2-1-3-8-15)24(32-22)34(25(29)35)21-18(27)11-6-12-19(21)28/h1-12,14H,13H2,(H2,29,35)
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PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125605
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(2,4-difluoro-phenyl)...)
Show SMILES Cn1cnc2c(nc(nc12)-c1ccc(F)cc1F)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N6O/c1-28-8-25-14-17(28)26-16(10-6-5-9(20)7-13(10)23)27-18(14)29(19(24)30)15-11(21)3-2-4-12(15)22/h2-8H,1H3,(H2,24,30)
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125600
PNG
(1-[2-(2-Chloro-phenyl)-9-methyl-9H-purin-6-yl]-1-(...)
Show SMILES Cn1cnc2c(nc(nc12)-c1ccccc1Cl)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13ClF2N6O/c1-27-9-24-14-17(27)25-16(10-5-2-3-6-11(10)20)26-18(14)28(19(23)29)15-12(21)7-4-8-13(15)22/h2-9H,1H3,(H2,23,29)
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125606
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(2-fluoro-phenyl)-9-m...)
Show SMILES Cn1cnc2c(nc(nc12)-c1ccccc1F)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13F3N6O/c1-27-9-24-14-17(27)25-16(10-5-2-3-6-11(10)20)26-18(14)28(19(23)29)15-12(21)7-4-8-13(15)22/h2-9H,1H3,(H2,23,29)
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125597
PNG
(1-(2,6-Difluoro-phenyl)-1-[9-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCn1cnc2c(nc(nc12)-c1ccccc1F)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C22H20F3N7O/c1-30(2)10-11-31-12-27-17-20(31)28-19(13-6-3-4-7-14(13)23)29-21(17)32(22(26)33)18-15(24)8-5-9-16(18)25/h3-9,12H,10-11H2,1-2H3,(H2,26,33)
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n/an/a 82n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125601
PNG
(1-(2-Chloro-phenyl)-1-[2-(4-fluoro-2-methyl-phenyl...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccccc2Cl)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16ClFN6O/c1-11-9-12(22)7-8-13(11)17-25-18-16(24-10-27(18)2)19(26-17)28(20(23)29)15-6-4-3-5-14(15)21/h3-10H,1-2H3,(H2,23,29)
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n/an/a 123n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125602
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(4-fluoro-2-methyl-ph...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
Show InChI InChI=1S/C20H15F3N6O/c1-10-8-11(21)6-7-12(10)17-26-18-15(25-9-28(18)2)19(27-17)29(20(24)30)16-13(22)4-3-5-14(16)23/h3-9H,1-2H3,(H2,24,30)
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n/an/a 128n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125589
PNG
(1-(2,6-Difluoro-phenyl)-1-(9-methyl-2-o-tolyl-9H-p...)
Show SMILES Cc1ccccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16F2N6O/c1-11-6-3-4-7-12(11)17-25-18-15(24-10-27(18)2)19(26-17)28(20(23)29)16-13(21)8-5-9-14(16)22/h3-10H,1-2H3,(H2,23,29)
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n/an/a 140n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125598
PNG
(1-[2-(4-Fluoro-2-methyl-phenyl)-9-methyl-9H-purin-...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cc(F)cc2F)c2ncn(C)c2n1
Show InChI InChI=1S/C20H14F4N6O/c1-9-5-10(21)3-4-12(9)17-27-18-15(26-8-29(18)2)19(28-17)30(20(25)31)16-13(23)6-11(22)7-14(16)24/h3-8H,1-2H3,(H2,25,31)
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n/an/a 163n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125592
PNG
(1-(2,6-Difluoro-phenyl)-1-(9-methyl-2-m-tolyl-9H-p...)
Show SMILES Cc1cccc(c1)-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16F2N6O/c1-11-5-3-6-12(9-11)17-25-18-15(24-10-27(18)2)19(26-17)28(20(23)29)16-13(21)7-4-8-14(16)22/h3-10H,1-2H3,(H2,23,29)
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n/an/a 350n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125599
PNG
(1-(2,6-Difluoro-phenyl)-1-(9-methyl-2-phenyl-9H-pu...)
Show SMILES Cn1cnc2c(nc(nc12)-c1ccccc1)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H14F2N6O/c1-26-10-23-14-17(26)24-16(11-6-3-2-4-7-11)25-18(14)27(19(22)28)15-12(20)8-5-9-13(15)21/h2-10H,1H3,(H2,22,28)
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n/an/a 510n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125607
PNG
(1-[2-(3-Chloro-phenyl)-9-methyl-9H-purin-6-yl]-1-(...)
Show SMILES Cn1cnc2c(nc(nc12)-c1cccc(Cl)c1)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13ClF2N6O/c1-27-9-24-14-17(27)25-16(10-4-2-5-11(20)8-10)26-18(14)28(19(23)29)15-12(21)6-3-7-13(15)22/h2-9H,1H3,(H2,23,29)
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n/an/a 550n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125596
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(4-fluoro-phenyl)-9-m...)
Show SMILES Cn1cnc2c(nc(nc12)-c1ccc(F)cc1)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13F3N6O/c1-27-9-24-14-17(27)25-16(10-5-7-11(20)8-6-10)26-18(14)28(19(23)29)15-12(21)3-2-4-13(15)22/h2-9H,1H3,(H2,23,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125594
PNG
(1-[2-(4-Fluoro-2-methyl-phenyl)-9-methyl-9H-purin-...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccc(F)cc2)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16F2N6O/c1-11-9-13(22)5-8-15(11)17-25-18-16(24-10-27(18)2)19(26-17)28(20(23)29)14-6-3-12(21)4-7-14/h3-10H,1-2H3,(H2,23,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125590
PNG
(1-(2,6-Difluoro-phenyl)-1-(9-methyl-2-p-tolyl-9H-p...)
Show SMILES Cc1ccc(cc1)-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16F2N6O/c1-11-6-8-12(9-7-11)17-25-18-15(24-10-27(18)2)19(26-17)28(20(23)29)16-13(21)4-3-5-14(16)22/h3-10H,1-2H3,(H2,23,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125595
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(3-fluoro-phenyl)-9-m...)
Show SMILES Cn1cnc2c(nc(nc12)-c1cccc(F)c1)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13F3N6O/c1-27-9-24-14-17(27)25-16(10-4-2-5-11(20)8-10)26-18(14)28(19(23)29)15-12(21)6-3-7-13(15)22/h2-9H,1H3,(H2,23,29)
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125608
PNG
(1-(4-Chloro-phenyl)-1-[2-(4-fluoro-2-methyl-phenyl...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccc(Cl)cc2)c2ncn(C)c2n1
Show InChI InChI=1S/C20H16ClFN6O/c1-11-9-13(22)5-8-15(11)17-25-18-16(24-10-27(18)2)19(26-17)28(20(23)29)14-6-3-12(21)4-7-14/h3-10H,1-2H3,(H2,23,29)
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n/an/a 9.80E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125593
PNG
(1-(2,6-Difluoro-phenyl)-1-[2-(3,5-difluoro-phenyl)...)
Show SMILES Cn1cnc2c(nc(nc12)-c1cc(F)cc(F)c1)N(C(N)=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N6O/c1-28-8-25-14-17(28)26-16(9-5-10(20)7-11(21)6-9)27-18(14)29(19(24)30)15-12(22)3-2-4-13(15)23/h2-8H,1H3,(H2,24,30)
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n/an/a>1.67E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125603
PNG
(1-[2-(4-Fluoro-2-methyl-phenyl)-9-methyl-9H-purin-...)
Show SMILES COc1ccccc1N(C(N)=O)c1nc(nc2n(C)cnc12)-c1ccc(F)cc1C
Show InChI InChI=1S/C21H19FN6O2/c1-12-10-13(22)8-9-14(12)18-25-19-17(24-11-27(19)2)20(26-18)28(21(23)29)15-6-4-5-7-16(15)30-3/h4-11H,1-3H3,(H2,23,29)
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n/an/a>1.67E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50125591
PNG
(1-[2-(4-Fluoro-2-methyl-phenyl)-9-methyl-9H-purin-...)
Show SMILES Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccccc2)c2ncn(C)c2n1
Show InChI InChI=1S/C20H17FN6O/c1-12-10-13(21)8-9-15(12)17-24-18-16(23-11-26(18)2)19(25-17)27(20(22)28)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,22,28)
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Article
PubMed
n/an/a>1.67E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MAP p38-alpha kinase in vitro.


Bioorg Med Chem Lett 13: 1191-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00048-9
BindingDB Entry DOI: 10.7270/Q2MG7NW6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%