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PubMed code 20045647

Compile data set for download or QSAR
Found 35 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 9


(Homo sapiens (Human))
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310143
PNG
(BI-90H8 | CHEMBL599110 | N-(4-Methoxybenzyl)-5-(5-...)
Show SMILES COc1ccc(CNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C13H11N5O3S3/c1-21-9-4-2-8(3-5-9)6-14-11-16-17-13(23-11)24-12-15-7-10(22-12)18(19)20/h2-5,7H,6H2,1H3,(H,14,16)
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n/an/a 100n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a 140n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a 160n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
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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n/an/a 280n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a 290n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310144
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-((tetrahydrofuran-2-...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(NCC3CCCO3)s2)s1
Show InChI InChI=1S/C10H11N5O3S3/c16-15(17)7-5-12-9(19-7)21-10-14-13-8(20-10)11-4-6-2-1-3-18-6/h5-6H,1-4H2,(H,11,13)
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n/an/a 470n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(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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n/an/a 500n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310143
PNG
(BI-90H8 | CHEMBL599110 | N-(4-Methoxybenzyl)-5-(5-...)
Show SMILES COc1ccc(CNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C13H11N5O3S3/c1-21-9-4-2-8(3-5-9)6-14-11-16-17-13(23-11)24-12-15-7-10(22-12)18(19)20/h2-5,7H,6H2,1H3,(H,14,16)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310144
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-((tetrahydrofuran-2-...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(NCC3CCCO3)s2)s1
Show InChI InChI=1S/C10H11N5O3S3/c16-15(17)7-5-12-9(19-7)21-10-14-13-8(20-10)11-4-6-2-1-3-18-6/h5-6H,1-4H2,(H,11,13)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310145
PNG
(BI-90G12 | CHEMBL599519 | N-Ethyl-5-(5-nitrothiazo...)
Show SMILES CCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C7H7N5O2S3/c1-2-8-5-10-11-7(16-5)17-6-9-3-4(15-6)12(13)14/h3H,2H2,1H3,(H,8,10)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis anthrax lethal factor


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis anthrax lethal factor


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis anthrax lethal factor


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis anthrax lethal factor


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50310146
PNG
(BI-90H10 | CHEMBL599111 | N-(3,4-Dimethoxyphenethy...)
Show SMILES COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
Show InChI InChI=1S/C15H15N5O4S3/c1-23-10-4-3-9(7-11(10)24-2)5-6-16-13-18-19-15(26-13)27-14-17-8-12(25-14)20(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50310145
PNG
(BI-90G12 | CHEMBL599519 | N-Ethyl-5-(5-nitrothiazo...)
Show SMILES CCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C7H7N5O2S3/c1-2-8-5-10-11-7(16-5)17-6-9-3-4(15-6)12(13)14/h3H,2H2,1H3,(H,8,10)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310148
PNG
(BI-90H9 | CHEMBL611079 | N-(2-Methoxyethyl)-5-(5-n...)
Show SMILES COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O3S3/c1-16-3-2-9-6-11-12-8(18-6)19-7-10-4-5(17-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/an/a 2.80E+3n/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of wild-type JNK2 by isothermal calorimetry


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(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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n/an/an/a 8.10E+3n/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of wild-type JNK2 by isothermal calorimetry


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
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n/an/an/a 9.40E+3n/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of wild-type JNK2 by isothermal calorimetry


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%