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PubMed code 11354358

Compile data set for download or QSAR
Found 53 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))
BDBM50099348
PNG
(2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)15-17)33-26-29-14-11-22(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099358
PNG
(2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2
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n/an/a 6.60n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099373
PNG
(2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...)
Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3
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n/an/a 7.40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099345
PNG
(2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099343
PNG
(2-(2-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2F)n1
Show InChI InChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099367
PNG
(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Oc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099342
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099355
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES COc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O2/c1-32-20-6-8-21(9-7-20)33-25-28-15-12-22(30-25)24-23(17-2-4-18(26)5-3-17)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 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099352
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O/c1-17-2-8-21(9-3-17)32-25-28-15-12-22(30-25)24-23(18-4-6-19(26)7-5-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099341
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES COc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H24FN5O2/c1-32-20-3-2-4-21(15-20)33-25-28-14-11-22(30-25)24-23(17-5-7-18(26)8-6-17)29-16-31(24)19-9-12-27-13-10-19/h2-8,11,14-16,19,27H,9-10,12-13H2,1H3
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099374
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2)n1
Show InChI InChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099344
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Oc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H22FN5O2/c25-17-6-4-16(5-7-17)22-23(30(15-28-22)18-8-11-26-12-9-18)21-10-13-27-24(29-21)32-20-3-1-2-19(31)14-20/h1-7,10,13-15,18,26,31H,8-9,11-12H2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM15239
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099347
PNG
(2-(3,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-22(15-18(17)2)33-26-29-14-11-23(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099338
PNG
(2-(Benzo[1,3]dioxol-5-yloxy)-4-[5-(4-fluoro-phenyl...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C25H22FN5O3/c26-17-3-1-16(2-4-17)23-24(31(14-29-23)18-7-10-27-11-8-18)20-9-12-28-25(30-20)34-19-5-6-21-22(13-19)33-15-32-21/h1-6,9,12-14,18,27H,7-8,10-11,15H2
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099353
PNG
(2-(2,6-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cccc(C)c1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-18(2)25(17)33-26-29-15-12-22(31-26)24-23(19-6-8-20(27)9-7-19)30-16-32(24)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 34n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099333
PNG
(2-(3,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-13-18(2)15-22(14-17)33-26-29-12-9-23(31-26)25-24(19-3-5-20(27)6-4-19)30-16-32(25)21-7-10-28-11-8-21/h3-6,9,12-16,21,28H,7-8,10-11H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099365
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES CC(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H28FN5O/c1-18(2)19-5-9-23(10-6-19)34-27-30-16-13-24(32-27)26-25(20-3-7-21(28)8-4-20)31-17-33(26)22-11-14-29-15-12-22/h3-10,13,16-18,22,29H,11-12,14-15H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)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 48n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099329
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H23FN6O2/c26-18-6-4-16(5-7-18)22-23(32(15-30-22)19-8-11-28-12-9-19)21-10-13-29-25(31-21)34-20-3-1-2-17(14-20)24(27)33/h1-7,10,13-15,19,28H,8-9,11-12H2,(H2,27,33)
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n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099328
PNG
(2-(Biphenyl-4-yloxy)-4-[5-(4-fluoro-phenyl)-3-pipe...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099364
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES CNC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H25FN6O2/c1-28-25(34)18-3-2-4-21(15-18)35-26-30-14-11-22(32-26)24-23(17-5-7-19(27)8-6-17)31-16-33(24)20-9-12-29-13-10-20/h2-8,11,14-16,20,29H,9-10,12-13H2,1H3,(H,28,34)
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n/an/a 75n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099340
PNG
(2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES CC(C)(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN5O/c1-28(2,3)20-6-10-23(11-7-20)35-27-31-17-14-24(33-27)26-25(19-4-8-21(29)9-5-19)32-18-34(26)22-12-15-30-16-13-22/h4-11,14,17-18,22,30H,12-13,15-16H2,1-3H3
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099360
PNG
(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES OC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H22FN5O3/c26-18-5-1-16(2-6-18)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-25(30-21)34-20-7-3-17(4-8-20)24(32)33/h1-8,11,14-15,19,27H,9-10,12-13H2,(H,32,33)
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n/an/a 82n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099370
PNG
(3-(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-i...)
Show SMILES OC(=O)CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H26FN5O3/c28-20-6-4-19(5-7-20)25-26(33(17-31-25)21-11-14-29-15-12-21)23-13-16-30-27(32-23)36-22-8-1-18(2-9-22)3-10-24(34)35/h1-2,4-9,13,16-17,21,29H,3,10-12,14-15H2,(H,34,35)
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n/an/a 85n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099350
PNG
(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES NC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FN6O2/c26-18-5-1-16(2-6-18)22-23(32(15-30-22)19-9-12-28-13-10-19)21-11-14-29-25(31-21)34-20-7-3-17(4-8-20)24(27)33/h1-8,11,14-15,19,28H,9-10,12-13H2,(H2,27,33)
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n/an/a 90n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099346
PNG
(2-(3-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(F)c2)n1
Show InChI InChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2
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n/an/a 95n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099366
PNG
(2-(4-Chloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C24H21ClFN5O/c25-17-3-7-20(8-4-17)32-24-28-14-11-21(30-24)23-22(16-1-5-18(26)6-2-16)29-15-31(23)19-9-12-27-13-10-19/h1-8,11,14-15,19,27H,9-10,12-13H2
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n/an/a 114n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099332
PNG
((4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imi...)
Show SMILES OC(=O)Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H24FN5O3/c27-19-5-3-18(4-6-19)24-25(32(16-30-24)20-9-12-28-13-10-20)22-11-14-29-26(31-22)35-21-7-1-17(2-8-21)15-23(33)34/h1-8,11,14,16,20,28H,9-10,12-13,15H2,(H,33,34)
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n/an/a 119n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099359
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099335
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
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n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099363
PNG
(CHEMBL14565 | N-(2-{4-[5-(4-Fluoro-phenyl)-3-piper...)
Show SMILES CC(=O)Nc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN6O2/c1-17(34)31-21-4-2-3-5-23(21)35-26-29-15-12-22(32-26)25-24(18-6-8-19(27)9-7-18)30-16-33(25)20-10-13-28-14-11-20/h2-9,12,15-16,20,28H,10-11,13-14H2,1H3,(H,31,34)
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n/an/a 134n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099368
PNG
(CHEMBL278498 | N-(2-{4-[5-(4-Fluoro-phenyl)-3-pipe...)
Show SMILES CCC(=O)Nc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN6O2/c1-2-24(35)32-21-5-3-4-6-23(21)36-27-30-16-13-22(33-27)26-25(18-7-9-19(28)10-8-18)31-17-34(26)20-11-14-29-15-12-20/h3-10,13,16-17,20,29H,2,11-12,14-15H2,1H3,(H,32,35)
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n/an/a 151n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099357
PNG
(2-(3,4-Dichloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C24H20Cl2FN5O/c25-19-6-5-18(13-20(19)26)33-24-29-12-9-21(31-24)23-22(15-1-3-16(27)4-2-15)30-14-32(23)17-7-10-28-11-8-17/h1-6,9,12-14,17,28H,7-8,10-11H2
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n/an/a 165n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099356
PNG
(4-(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-i...)
Show SMILES OC(=O)CCCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H28FN5O3/c29-21-8-6-20(7-9-21)26-27(34(18-32-26)22-12-15-30-16-13-22)24-14-17-31-28(33-24)37-23-10-4-19(5-11-23)2-1-3-25(35)36/h4-11,14,17-18,22,30H,1-3,12-13,15-16H2,(H,35,36)
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n/an/a 174n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099337
PNG
(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2
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n/an/a 177n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099371
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES CC(C)NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C28H29FN6O2/c1-18(2)33-27(36)20-4-3-5-23(16-20)37-28-31-15-12-24(34-28)26-25(19-6-8-21(29)9-7-19)32-17-35(26)22-10-13-30-14-11-22/h3-9,12,15-18,22,30H,10-11,13-14H2,1-2H3,(H,33,36)
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n/an/a 189n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099339
PNG
(2-(3,5-Difluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)19-5-8-28-9-6-19)21-7-10-29-24(31-21)33-20-12-17(26)11-18(27)13-20/h1-4,7,10-14,19,28H,5-6,8-9H2
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n/an/a 209n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099351
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C25H21F4N5O/c26-18-5-1-16(2-6-18)22-23(34(15-32-22)19-9-12-30-13-10-19)21-11-14-31-24(33-21)35-20-7-3-17(4-8-20)25(27,28)29/h1-8,11,14-15,19,30H,9-10,12-13H2
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n/an/a 215n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50072405
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyrimidin-4-yl-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
Show InChI InChI=1S/C20H22FN5O/c21-17-4-2-16(3-5-17)19-20(18-6-7-22-14-23-18)26(15-24-19)9-1-8-25-10-12-27-13-11-25/h2-7,14-15H,1,8-13H2
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n/an/a 220n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50072400
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4...)
Show SMILES COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-28-21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099362
PNG
(2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...)
Show SMILES Fc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21F2N5O/c25-17-3-1-16(2-4-17)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-24(30-21)32-20-7-5-18(26)6-8-20/h1-8,11,14-15,19,27H,9-10,12-13H2
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099372
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H27FN6O2/c1-33(2)26(35)19-4-3-5-22(16-19)36-27-30-15-12-23(32-27)25-24(18-6-8-20(28)9-7-18)31-17-34(25)21-10-13-29-14-11-21/h3-9,12,15-17,21,29H,10-11,13-14H2,1-2H3
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n/an/a 312n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099330
PNG
(2-(4-Benzyloxy-phenoxy)-4-[5-(4-fluoro-phenyl)-3-p...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(OCc3ccccc3)cc2)n1
Show InChI InChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2
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n/an/a 317n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099354
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(=O)NN2CCNCC2)n1
Show InChI InChI=1S/C29H31FN8O2/c30-22-6-4-20(5-7-22)26-27(38(19-34-26)23-8-11-31-12-9-23)25-10-13-33-29(35-25)40-24-3-1-2-21(18-24)28(39)36-37-16-14-32-15-17-37/h1-7,10,13,18-19,23,31-32H,8-9,11-12,14-17H2,(H,36,39)
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n/an/a 406n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099369
PNG
(2-(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-i...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(CC(=O)NN3CCCCC3)c2)n1
Show InChI InChI=1S/C31H34FN7O2/c32-24-9-7-23(8-10-24)29-30(39(21-35-29)25-11-14-33-15-12-25)27-13-16-34-31(36-27)41-26-6-4-5-22(19-26)20-28(40)37-38-17-2-1-3-18-38/h4-10,13,16,19,21,25,33H,1-3,11-12,14-15,17-18,20H2,(H,37,40)
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n/an/a 453n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50072402
PNG
(4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25)
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n/an/a 480n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099361
PNG
(3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(=O)NN2CCCCC2)n1
Show InChI InChI=1S/C30H32FN7O2/c31-23-9-7-21(8-10-23)27-28(38(20-34-27)24-11-14-32-15-12-24)26-13-16-33-30(35-26)40-25-6-4-5-22(19-25)29(39)36-37-17-2-1-3-18-37/h4-10,13,16,19-20,24,32H,1-3,11-12,14-15,17-18H2,(H,36,39)
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n/an/a 599n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099336
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES CS(=O)(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O3S/c1-35(32,33)21-8-6-20(7-9-21)34-25-28-15-12-22(30-25)24-23(17-2-4-18(26)5-3-17)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 650n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50053424
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-imidazol-...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Show InChI InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%