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PubMed code 19327989

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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277947
PNG
(CHEMBL482559 | N-(4-(4-(2-(cyclopentylamino)pyrimi...)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C19H28N6O2S/c1-28(26,27)25-15-8-6-13(7-9-15)18-16(12-21-24-18)17-10-11-20-19(23-17)22-14-4-2-3-5-14/h10-15,25H,2-9H2,1H3,(H,21,24)(H,20,22,23)/t13-,15-
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9n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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12n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277909
PNG
(CHEMBL483741 | N-cyclopentyl-4-(3-(tetrahydro-2H-p...)
Show SMILES C1CCC(C1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C17H23N5O/c1-2-6-13(5-1)20-17-18-8-7-15(21-17)14-10-19-22-16(14)12-4-3-9-23-11-12/h7-8,10,12-13H,1-6,9,11H2,(H,19,22)(H,18,20,21)
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12n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277869
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopent...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H18ClN5/c19-13-7-5-12(6-8-13)17-15(11-21-24-17)16-9-10-20-18(23-16)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,24)(H,20,22,23)
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26n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277838
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclohexy...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C19H20ClN5/c20-14-8-6-13(7-9-14)18-16(12-22-25-18)17-10-11-21-19(24-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)(H,21,23,24)
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27n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277948
PNG
(CHEMBL482753 | N-(4-(4-(2-(cyclopentylamino)pyrimi...)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C20H28N6O/c1-13(27)23-16-8-6-14(7-9-16)19-17(12-22-26-19)18-10-11-21-20(25-18)24-15-4-2-3-5-15/h10-12,14-16H,2-9H2,1H3,(H,22,26)(H,23,27)(H,21,24,25)/t14-,16-
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28n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277946
PNG
(3-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES OC1CCCC(C1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-3-4-12(10-14)17-15(11-20-23-17)16-8-9-19-18(22-16)21-13-5-1-2-6-13/h8-9,11-14,24H,1-7,10H2,(H,20,23)(H,19,21,22)
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36n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277873
PNG
(CHEMBL485365 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-5-13(19-15)12-8-17-20-14(12)11-4-3-7-21-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,20)(H,16,18,19)
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277836
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-isopropyl...)
Show SMILES CC(C)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN5/c1-10(2)20-16-18-8-7-14(21-16)13-9-19-22-15(13)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
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48n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277907
PNG
(CHEMBL520488 | N-isopropyl-4-(3-(1-(methylsulfonyl...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C16H24N6O2S/c1-11(2)19-16-17-7-4-14(20-16)13-10-18-21-15(13)12-5-8-22(9-6-12)25(3,23)24/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
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101n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277837
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cycloprop...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C16H14ClN5/c17-11-3-1-10(2-4-11)15-13(9-19-22-15)14-7-8-18-16(21-14)20-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,19,22)(H,18,20,21)
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151n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277908
PNG
(CHEMBL518996 | N-(1-methylpiperidin-4-yl)-4-(3-(6-...)
Show SMILES CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(C)nc1
Show InChI InChI=1S/C19H23N7/c1-13-3-4-14(11-21-13)18-16(12-22-25-18)17-5-8-20-19(24-17)23-15-6-9-26(2)10-7-15/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,22,25)(H,20,23,24)
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162n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277905
PNG
(CHEMBL520332 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCOCC1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-3-13(19-15)12-9-17-20-14(12)11-4-7-21-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
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169n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277868
PNG
((R)-3-(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)pyrim...)
Show SMILES C[C@H](CC(O)=O)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN5O2/c1-10(8-15(24)25)21-17-19-7-6-14(22-17)13-9-20-23-16(13)11-2-4-12(18)5-3-11/h2-7,9-10H,8H2,1H3,(H,20,23)(H,24,25)(H,19,21,22)/t10-/m1/s1
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315n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277872
PNG
(CHEMBL485364 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCCO1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-7-6-12(19-15)11-9-17-20-14(11)13-5-3-4-8-21-13/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,20)(H,16,18,19)
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381n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277906
PNG
(CHEMBL484326 | N-isopropyl-4-(3-(piperidin-3-yl)-1...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCNC1
Show InChI InChI=1S/C15H22N6/c1-10(2)19-15-17-7-5-13(20-15)12-9-18-21-14(12)11-4-3-6-16-8-11/h5,7,9-11,16H,3-4,6,8H2,1-2H3,(H,18,21)(H,17,19,20)
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530n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50277870
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-(1-methyl...)
Show SMILES CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6/c1-26-10-7-15(8-11-26)23-19-21-9-6-17(24-19)16-12-22-25-18(16)13-2-4-14(20)5-3-13/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,22,25)(H,21,23,24)
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1.02E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277870
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-(1-methyl...)
Show SMILES CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6/c1-26-10-7-15(8-11-26)23-19-21-9-6-17(24-19)16-12-22-25-18(16)13-2-4-14(20)5-3-13/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,22,25)(H,21,23,24)
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1.57E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277835
PNG
(4-methylpyrimidine-2-thiol | CHEMBL455772)
Show SMILES Cc1ccnc(=S)[nH]1
Show InChI InChI=1S/C5H6N2S/c1-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
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2.06E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50277871
PNG
(CHEMBL485193 | N-isopropyl-4-(1H-pyrazol-4-yl)pyri...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C10H13N5/c1-7(2)14-10-11-4-3-9(15-10)8-5-12-13-6-8/h3-7H,1-2H3,(H,12,13)(H,11,14,15)
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2.73E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of to JNK2


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 590n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 860n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MKK7beta


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens)
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 920n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MKK4


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of SPAK4


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 6.20E+3n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of SAPK3


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of IKKb


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MAPK2 (unknown origin)


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of SAPK2b (unknown origin)


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MKK6


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MAPK2 (unknown origin)


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of AMPK


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of P70s6K


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of SAPK2a


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%