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PubMed code 18922779

Compile data set for download or QSAR
Found 12 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 8


(Homo sapiens (Human))
BDBM26059
PNG
(5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulf...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1
Show InChI InChI=1S/C10H6N6O2S2/c17-16(18)8-6-11-10(19-8)20-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-6H
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PubMed
n/an/a 183n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26058
PNG
(5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-phenyl-4H...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C11H7N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h1-6H,(H,13,17)
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Article
PubMed
n/an/a 237n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26057
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
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Article
PubMed
n/an/a 280n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26057
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
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PubMed
n/an/a 500n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26058
PNG
(5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-phenyl-4H...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C11H7N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h1-6H,(H,13,17)
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26059
PNG
(5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulf...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1
Show InChI InChI=1S/C10H6N6O2S2/c17-16(18)8-6-11-10(19-8)20-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-6H
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PubMed
n/an/a 3.30E+3n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26060
PNG
(4-methyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sul...)
Show SMILES Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O
Show InChI InChI=1S/C12H9N5O2S2/c1-7-9(10(18)19)20-12(13-7)21-11-14-15-16-17(11)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19)
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PubMed
n/an/a 7.50E+3n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26062
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitroth...)
Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C14H10N4O5S2/c19-13-15-16-14(25-12-4-3-11(24-12)18(20)21)17(13)8-1-2-9-10(7-8)23-6-5-22-9/h1-4,7H,5-6H2,(H,15,19)
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PubMed
n/an/a>2.50E+4n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26061
PNG
(5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole |...)
Show SMILES C(Sc1nnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
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n/an/a>2.50E+4n/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26060
PNG
(4-methyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sul...)
Show SMILES Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O
Show InChI InChI=1S/C12H9N5O2S2/c1-7-9(10(18)19)20-12(13-7)21-11-14-15-16-17(11)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19)
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26062
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitroth...)
Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C14H10N4O5S2/c19-13-15-16-14(25-12-4-3-11(24-12)18(20)21)17(13)8-1-2-9-10(7-8)23-6-5-22-9/h1-4,7H,5-6H2,(H,15,19)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM26061
PNG
(5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole |...)
Show SMILES C(Sc1nnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
Found 3 hits of Isothermal Titration Calorimetry Data.
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
JNK2/JNK3

(Homo sapiens (Human))
BDBM26057
JPEG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
GoogleScholar
KEGG
PDB
CHEBI
PC cid
PC sid
n/an/an/a5.097.4025



Burnham Institute for Medical Research





Proc Natl Acad Sci U S A 105: 16809-13 (2008)

Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (C162S)

(Homo sapiens (Human))
BDBM26057
JPEG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
GoogleScholar
PDB
CHEBI
PC cid
PC sid
n/an/an/a4.297.4025



Burnham Institute for Medical Research





Proc Natl Acad Sci U S A 105: 16809-13 (2008)

Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (R127A)

(Homo sapiens (Human))
BDBM26057
JPEG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
GoogleScholar
PDB
CHEBI
PC cid
PC sid
n/an/an/a4.837.4025



Burnham Institute for Medical Research





Proc Natl Acad Sci U S A 105: 16809-13 (2008)

* indicates data uncertainty>20%