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PubMed code 11597418

Compile data set for download or QSAR
Found 47 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))
BDBM50105748
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105762
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-phenylamino-pyrimidin-...)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)/t20-,21-
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105746
PNG
(CHEMBL318892 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2beta2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105743
PNG
(4-[3-(1-Benzyl-piperidin-4-yl)-5-(4-fluoro-phenyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)
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n/an/a 8.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105763
PNG
(CHEMBL420081 | Ethyl-{4-[5-(4-fluoro-phenyl)-3-(1-...)
Show SMILES CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)
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n/an/a 9.60n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>10n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>10n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGFR kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105751
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-phenoxy-pyrimidin-4-yl...)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Oc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2/t19-,20-
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105761
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-22-20-23-11-10-17(25-20)19-18(13-2-4-14(21)5-3-13)24-12-26(19)15-6-8-16(27)9-7-15/h2-5,10-12,15-16,27H,6-9H2,1H3,(H,22,23,25)/t15-,16-
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
MAP kinase p38


(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 19n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK 2 beta2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
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 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
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
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105760
PNG
(CHEMBL419149 | {4-[5-(4-Fluoro-phenyl)-3-piperidin...)
Show SMILES CNc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN6/c1-21-19-23-11-8-16(25-19)18-17(13-2-4-14(20)5-3-13)24-12-26(18)15-6-9-22-10-7-15/h2-5,8,11-12,15,22H,6-7,9-10H2,1H3,(H,21,23,25)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105753
PNG
(4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6O2/c1-2-30-21(29)27-11-8-16(9-12-27)28-13-25-18(14-3-5-15(22)6-4-14)19(28)17-7-10-24-20(23)26-17/h3-7,10,13,16H,2,8-9,11-12H2,1H3,(H2,23,24,26)
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n/an/a 33n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105759
PNG
(4-{5-(4-Fluoro-phenyl)-3-[1-(2,2,2-trifluoro-ethyl...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(CC(F)(F)F)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20F4N6/c21-14-3-1-13(2-4-14)17-18(16-5-8-26-19(25)28-16)30(12-27-17)15-6-9-29(10-7-15)11-20(22,23)24/h1-5,8,12,15H,6-7,9-11H2,(H2,25,26,28)
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n/an/a 42n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105754
PNG
(Benzyl-{4-[5-(4-fluoro-phenyl)-3-(1-methyl-piperid...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN6/c1-32-15-12-22(13-16-32)33-18-30-24(20-7-9-21(27)10-8-20)25(33)23-11-14-28-26(31-23)29-17-19-5-3-2-4-6-19/h2-11,14,18,22H,12-13,15-17H2,1H3,(H,28,29,31)
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK1 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cRaf kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cRaf kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cdc2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK1 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105755
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES CC(C)Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O/c1-14(2)28-21-24-12-9-18(26-21)20-19(15-3-5-16(22)6-4-15)25-13-27(20)17-7-10-23-11-8-17/h3-6,9,12-14,17,23H,7-8,10-11H2,1-2H3
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105744
PNG
(2-{4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6O/c1-27-11-7-17(8-12-27)28-14-25-19(15-2-4-16(22)5-3-15)20(28)18-6-9-23-21(26-18)24-10-13-29/h2-6,9,14,17,29H,7-8,10-13H2,1H3,(H,23,24,26)
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105741
PNG
(4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-pipe...)
Show SMILES CC1(C)CC(CC(C)(C)N1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27)
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105764
PNG
(2-Ethoxy-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3...)
Show SMILES CCOc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-2-27-20-23-12-9-17(25-20)19-18(14-3-5-15(21)6-4-14)24-13-26(19)16-7-10-22-11-8-16/h3-6,9,12-13,16,22H,2,7-8,10-11H2,1H3
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGFR kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105765
PNG
(4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-...)
Show SMILES Nc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)/t14-,15-
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105750
PNG
(4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)
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n/an/a 86n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>100n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cdc2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105752
PNG
(CHEMBL329447 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6/c1-22-20-23-10-7-17(25-20)19-18(14-3-5-15(21)6-4-14)24-13-27(19)16-8-11-26(2)12-9-16/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,23,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105757
PNG
(4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCC(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14H,5-8H2,(H2,21,22,24)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105749
PNG
(4-[5-(4-Fluoro-phenyl)-3-(1-isopropyl-piperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6/c1-14(2)27-11-8-17(9-12-27)28-13-25-19(15-3-5-16(22)6-4-15)20(28)18-7-10-24-21(23)26-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H2,23,24,26)
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105756
PNG
(4-[5-(4-Fluoro-phenyl)-3-isopropyl-3H-imidazol-4-y...)
Show SMILES CC(C)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN5/c1-10(2)22-9-20-14(11-3-5-12(17)6-4-11)15(22)13-7-8-19-16(18)21-13/h3-10H,1-2H3,(H2,18,19,21)
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105747
PNG
(4-[5-(4-Fluoro-phenyl)-3-(tetrahydro-pyran-4-yl)-3...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5O/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-25-10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23)
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n/an/a 230n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105758
PNG
(4-[3-(1,1-Dioxo-hexahydro-1lambda*6*-thiopyran-4-y...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5O2S/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-27(25,26)10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23)
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n/an/a 390n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
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
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50105745
PNG
(CHEMBL329469 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccncc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7/c1-31-14-9-20(10-15-31)32-16-28-22(17-2-4-18(25)5-3-17)23(32)21-8-13-27-24(30-21)29-19-6-11-26-12-7-19/h2-8,11-13,16,20H,9-10,14-15H2,1H3,(H,26,27,29,30)
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n/an/a 610n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%