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PubMed code 22858099

Compile data set for download or QSAR
Found 52 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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390272
PNG
(CHEMBL2070415)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C33H36N4O4S2/c1-35-18-20-36(21-19-35)17-3-2-4-22-40-27-15-9-26(10-16-27)37-32(39)30(43-33(37)42)23-24-5-11-28(12-6-24)41-29-13-7-25(8-14-29)31(34)38/h5-16,23H,2-4,17-22H2,1H3,(H2,34,38)/b30-23-
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n/an/a 160n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 170n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390261
PNG
(CHEMBL2070414)
Show SMILES CN1CCN(CCCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C32H34N4O4S2/c1-34-17-19-35(20-18-34)16-2-3-21-39-26-14-8-25(9-15-26)36-31(38)29(42-32(36)41)22-23-4-10-27(11-5-23)40-28-12-6-24(7-13-28)30(33)37/h4-15,22H,2-3,16-21H2,1H3,(H2,33,37)/b29-22-
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n/an/a 230n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a 350n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 640n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390267
PNG
(CHEMBL2070433)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)18-5-19-36-24-16-10-23(11-17-24)33-29(35)27(39-30(33)38)20-21-6-12-25(13-7-21)37-26-14-8-22(9-15-26)28(31)34/h6-17,20H,3-5,18-19H2,1-2H3,(H2,31,34)/b27-20-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390268
PNG
(CHEMBL2070410)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)C(N)=O)C1=O
Show InChI InChI=1S/C28H29N3O4S2/c1-3-30(4-2)16-5-17-34-22-12-10-21(11-13-22)31-27(33)25(37-28(31)36)18-23-14-15-24(35-23)19-6-8-20(9-7-19)26(29)32/h6-15,18H,3-5,16-17H2,1-2H3,(H2,29,32)/b25-18-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390261
PNG
(CHEMBL2070414)
Show SMILES CN1CCN(CCCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C32H34N4O4S2/c1-34-17-19-35(20-18-34)16-2-3-21-39-26-14-8-25(9-15-26)36-31(38)29(42-32(36)41)22-23-4-10-27(11-5-23)40-28-12-6-24(7-13-28)30(33)37/h4-15,22H,2-3,16-21H2,1H3,(H2,33,37)/b29-22-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390257
PNG
(CHEMBL2070419)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C31H31N3O4S2/c32-29(35)23-7-13-27(14-8-23)38-26-11-5-22(6-12-26)21-28-30(36)34(31(39)40-28)24-9-15-25(16-10-24)37-20-4-19-33-17-2-1-3-18-33/h5-16,21H,1-4,17-20H2,(H2,32,35)/b28-21-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390273
PNG
(CHEMBL2070438)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(N)=O)C1=O
Show InChI InChI=1S/C28H29N3O4S2/c1-3-30(4-2)15-6-16-34-22-11-9-21(10-12-22)31-27(33)25(37-28(31)36)18-23-13-14-24(35-23)19-7-5-8-20(17-19)26(29)32/h5,7-14,17-18H,3-4,6,15-16H2,1-2H3,(H2,29,32)/b25-18-
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n/an/a 5.70E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390270
PNG
(CHEMBL2070426)
Show SMILES NC(=O)c1cccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)c1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-5-3-6-26(20-22)37-25-11-7-21(8-12-25)19-27-29(35)33(30(38)39-27)23-9-13-24(14-10-23)36-18-4-17-32-15-1-2-16-32/h3,5-14,19-20H,1-2,4,15-18H2,(H2,31,34)/b27-19-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390271
PNG
(CHEMBL2070418)
Show SMILES NC(=O)c1cccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCCC4)cc3)cc2)c1
Show InChI InChI=1S/C31H31N3O4S2/c32-29(35)23-6-4-7-27(21-23)38-26-12-8-22(9-13-26)20-28-30(36)34(31(39)40-28)24-10-14-25(15-11-24)37-19-5-18-33-16-2-1-3-17-33/h4,6-15,20-21H,1-3,5,16-19H2,(H2,32,35)/b28-20-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390270
PNG
(CHEMBL2070426)
Show SMILES NC(=O)c1cccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)c1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-5-3-6-26(20-22)37-25-11-7-21(8-12-25)19-27-29(35)33(30(38)39-27)23-9-13-24(14-10-23)36-18-4-17-32-15-1-2-16-32/h3,5-14,19-20H,1-2,4,15-18H2,(H2,31,34)/b27-19-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390275
PNG
(CHEMBL2070423)
Show SMILES CCN(CC)CCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3cccc(c3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C29H29N3O4S2/c1-3-31(4-2)16-17-35-23-14-10-22(11-15-23)32-28(34)26(38-29(32)37)18-20-8-12-24(13-9-20)36-25-7-5-6-21(19-25)27(30)33/h5-15,18-19H,3-4,16-17H2,1-2H3,(H2,30,33)/b26-18-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390266
PNG
(CHEMBL2070432)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3cccc(c3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)17-6-18-36-24-15-11-23(12-16-24)33-29(35)27(39-30(33)38)19-21-9-13-25(14-10-21)37-26-8-5-7-22(20-26)28(31)34/h5,7-16,19-20H,3-4,6,17-18H2,1-2H3,(H2,31,34)/b27-19-
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n/an/a 7.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390267
PNG
(CHEMBL2070433)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)18-5-19-36-24-16-10-23(11-17-24)33-29(35)27(39-30(33)38)20-21-6-12-25(13-7-21)37-26-14-8-22(9-15-26)28(31)34/h6-17,20H,3-5,18-19H2,1-2H3,(H2,31,34)/b27-20-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390269
PNG
(CHEMBL2070424)
Show SMILES CCN(CC)CCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C29H29N3O4S2/c1-3-31(4-2)17-18-35-23-15-9-22(10-16-23)32-28(34)26(38-29(32)37)19-20-5-11-24(12-6-20)36-25-13-7-21(8-14-25)27(30)33/h5-16,19H,3-4,17-18H2,1-2H3,(H2,30,33)/b26-19-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390258
PNG
(CHEMBL2070411)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccccc4C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-4-20-38-24-13-9-23(10-14-24)35-30(37)28(41-31(35)40)21-22-7-11-25(12-8-22)39-27-6-3-2-5-26(27)29(32)36/h2-3,5-14,21H,4,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a 8.50E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390269
PNG
(CHEMBL2070424)
Show SMILES CCN(CC)CCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C29H29N3O4S2/c1-3-31(4-2)17-18-35-23-15-9-22(10-16-23)32-28(34)26(38-29(32)37)19-20-5-11-24(12-6-20)36-25-13-7-21(8-14-25)27(30)33/h5-16,19H,3-4,17-18H2,1-2H3,(H2,30,33)/b26-19-
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n/an/a 8.70E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390263
PNG
(CHEMBL2070434)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C23H24Cl2N2O2S2/c1-3-26(4-2)12-5-13-29-18-9-7-17(8-10-18)27-22(28)21(31-23(27)30)15-16-6-11-19(24)20(25)14-16/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15-
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n/an/a 9.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390266
PNG
(CHEMBL2070432)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3cccc(c3)C(N)=O)cc2)C1=O
Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)17-6-18-36-24-15-11-23(12-16-24)33-29(35)27(39-30(33)38)19-21-9-13-25(14-10-21)37-26-8-5-7-22(20-26)28(31)34/h5,7-16,19-20H,3-4,6,17-18H2,1-2H3,(H2,31,34)/b27-19-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390258
PNG
(CHEMBL2070411)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccccc4C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-4-20-38-24-13-9-23(10-14-24)35-30(37)28(41-31(35)40)21-22-7-11-25(12-8-22)39-27-6-3-2-5-26(27)29(32)36/h2-3,5-14,21H,4,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390265
PNG
(CHEMBL2070430)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C29H29ClN2O3S2/c1-3-31(4-2)18-5-19-34-24-16-10-23(11-17-24)32-28(33)27(37-29(32)36)20-21-6-12-25(13-7-21)35-26-14-8-22(30)9-15-26/h6-17,20H,3-5,18-19H2,1-2H3/b27-20-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390264
PNG
(CHEMBL2070427)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#7]-1-[#6](=S)-[#16]\[#6](=[#6]/[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C31H32N2O2S2/c1-3-32(4-2)22-11-23-35-27-18-16-26(17-19-27)33-30(34)29(37-31(33)36)21-20-28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-21H,3-4,11,22-23H2,1-2H3/b29-21-
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n/an/a 1.41E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390265
PNG
(CHEMBL2070430)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C29H29ClN2O3S2/c1-3-31(4-2)18-5-19-34-24-16-10-23(11-17-24)32-28(33)27(37-29(32)36)20-21-6-12-25(13-7-21)35-26-14-8-22(30)9-15-26/h6-17,20H,3-5,18-19H2,1-2H3/b27-20-
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n/an/a 1.56E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50390274
PNG
(CHEMBL2070439)
Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C23H26N2O3S2/c1-3-24(4-2)14-5-15-28-20-12-8-18(9-13-20)25-22(27)21(30-23(25)29)16-17-6-10-19(26)11-7-17/h6-13,16,26H,3-5,14-15H2,1-2H3/b21-16-
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n/an/a 2.36E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38beta


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38beta


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390257
PNG
(CHEMBL2070419)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C31H31N3O4S2/c32-29(35)23-7-13-27(14-8-23)38-26-11-5-22(6-12-26)21-28-30(36)34(31(39)40-28)24-9-15-25(16-10-24)37-20-4-19-33-17-2-1-3-18-33/h5-16,21H,1-4,17-20H2,(H2,32,35)/b28-21-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50390271
PNG
(CHEMBL2070418)
Show SMILES NC(=O)c1cccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCCC4)cc3)cc2)c1
Show InChI InChI=1S/C31H31N3O4S2/c32-29(35)23-6-4-7-27(21-23)38-26-12-8-22(9-13-26)20-28-30(36)34(31(39)40-28)24-10-14-25(15-11-24)37-19-5-18-33-16-2-1-3-17-33/h4,6-15,20-21H,1-3,5,16-19H2,(H2,32,35)/b28-20-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38beta


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50390262
PNG
(CHEMBL2070416)
Show SMILES NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c31-28(34)22-6-12-26(13-7-22)37-25-10-4-21(5-11-25)20-27-29(35)33(30(38)39-27)23-8-14-24(15-9-23)36-19-3-18-32-16-1-2-17-32/h4-15,20H,1-3,16-19H2,(H2,31,34)/b27-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50390260
PNG
(CHEMBL2070413)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50390259
PNG
(CHEMBL2070412)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H32N4O4S2/c1-33-15-17-34(18-16-33)14-3-19-38-25-12-8-24(9-13-25)35-30(37)28(41-31(35)40)20-22-6-10-26(11-7-22)39-27-5-2-4-23(21-27)29(32)36/h2,4-13,20-21H,3,14-19H2,1H3,(H2,32,36)/b28-20-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 22: 5668-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.088
BindingDB Entry DOI: 10.7270/Q2NZ88QX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%