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Compile Data Set for Download or QSAR

Found 24 hits from and Translational Research Institute   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303639
PNG
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303638
PNG
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303639
PNG
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23)
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n/an/a 16n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303638
PNG
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303644
PNG
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34)
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n/an/a 39n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303642
PNG
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)
Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
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n/an/a 54n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
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n/an/a 79n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303644
PNG
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34)
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n/an/a 79n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303643
PNG
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32)
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n/an/a 85n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303643
PNG
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32)
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n/an/a 97n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303646
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)
Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
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n/an/a 99n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303645
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32)
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n/an/a 102n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303640
PNG
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27)
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n/an/a 113n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50169959
PNG
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
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n/an/a 120n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303637
PNG
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26)
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n/an/a 123n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303645
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32)
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n/an/a 133n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303642
PNG
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)
Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
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n/an/a 140n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303646
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)
Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
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Article
PubMed
n/an/a 148n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303647
PNG
(CHEMBL572282 | N-(4-(1H-1,2,4-Triazol-1-yl)phenyl)...)
Show SMILES N(c1ccc(cc1)-n1cncn1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-10-11-20-18(23-17)22-15-6-8-16(9-7-15)24-13-19-12-21-24/h1-13H,(H,20,22,23)
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n/an/a 297n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303637
PNG
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26)
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n/an/a 365n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303640
PNG
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27)
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PubMed
n/an/a 390n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
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PubMed
n/an/a 491n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
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PubMed
n/an/a 535n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair