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PubMed code 26826731

Compile data set for download or QSAR
Found 28 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))
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



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146936
PNG
(CHEMBL3765499)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30FN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 500n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146933
PNG
(CHEMBL3763391)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)S(N)(=O)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C30H32N4O5S3/c1-32-16-18-33(19-17-32)15-2-20-38-24-9-5-23(6-10-24)34-29(35)28(41-30(34)40)21-22-3-7-25(8-4-22)39-26-11-13-27(14-12-26)42(31,36)37/h3-14,21H,2,15-20H2,1H3,(H2,31,36,37)/b28-21-
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n/an/a 600n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146931
PNG
(CHEMBL3764354)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
Show InChI InChI=1S/C31H30N4O3S2/c1-33-16-18-34(19-17-33)15-2-20-37-26-13-7-25(8-14-26)35-30(36)29(40-31(35)39)21-23-3-9-27(10-4-23)38-28-11-5-24(22-32)6-12-28/h3-14,21H,2,15-20H2,1H3/b29-21-
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n/an/a 640n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146936
PNG
(CHEMBL3765499)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30FN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 790n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146940
PNG
(CHEMBL3765155)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30N4O5S2/c1-31-16-18-32(19-17-31)15-2-20-38-25-11-5-23(6-12-25)33-29(35)28(41-30(33)40)21-22-3-9-26(10-4-22)39-27-13-7-24(8-14-27)34(36)37/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 790n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146937
PNG
(CHEMBL3764369)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30ClN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 820n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146943
PNG
(CHEMBL3765759)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(NS(C)(=O)=O)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C31H34N4O5S3/c1-33-17-19-34(20-18-33)16-3-21-39-26-14-8-25(9-15-26)35-30(36)29(42-31(35)41)22-23-4-10-27(11-5-23)40-28-12-6-24(7-13-28)32-43(2,37)38/h4-15,22,32H,3,16-21H2,1-2H3/b29-22-
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n/an/a 820n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146942
PNG
(CHEMBL3763983)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C32H34N4O4S2/c1-23(37)33-25-6-12-29(13-7-25)40-28-10-4-24(5-11-28)22-30-31(38)36(32(41)42-30)26-8-14-27(15-9-26)39-21-3-16-35-19-17-34(2)18-20-35/h4-15,22H,3,16-21H2,1-2H3,(H,33,37)/b30-22-
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n/an/a 840n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146934
PNG
(CHEMBL3765189)
Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C31H33N3O4S2/c1-32-17-19-33(20-18-32)16-3-21-37-26-10-6-24(7-11-26)34-30(35)29(40-31(34)39)22-23-4-8-27(9-5-23)38-28-14-12-25(36-2)13-15-28/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 840n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146941
PNG
(CHEMBL3763572)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H32N4O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20,31H2,1H3/b28-21-
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n/an/a 850n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146939
PNG
(CHEMBL3764955)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)S(C)(=O)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H33N3O5S3/c1-32-17-19-33(20-18-32)16-3-21-38-25-10-6-24(7-11-25)34-30(35)29(41-31(34)40)22-23-4-8-26(9-5-23)39-27-12-14-28(15-13-27)42(2,36)37/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 900n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146938
PNG
(CHEMBL3764998)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30BrN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 960n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146935
PNG
(CHEMBL3763698)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C31H33N3O3S2/c1-23-4-10-27(11-5-23)37-28-12-6-24(7-13-28)22-29-30(35)34(31(38)39-29)25-8-14-26(15-9-25)36-21-3-16-33-19-17-32(2)18-20-33/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146940
PNG
(CHEMBL3765155)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30N4O5S2/c1-31-16-18-32(19-17-31)15-2-20-38-25-11-5-23(6-12-25)33-29(35)28(41-30(33)40)21-22-3-9-26(10-4-22)39-27-13-7-24(8-14-27)34(36)37/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
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



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146930
PNG
(CHEMBL3764641)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C33H36N4O4S2/c1-34(2)31(38)25-7-13-29(14-8-25)41-28-11-5-24(6-12-28)23-30-32(39)37(33(42)43-30)26-9-15-27(16-10-26)40-22-4-17-36-20-18-35(3)19-21-36/h5-16,23H,4,17-22H2,1-3H3/b30-23-
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n/an/a 2.10E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146937
PNG
(CHEMBL3764369)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30ClN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146931
PNG
(CHEMBL3764354)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
Show InChI InChI=1S/C31H30N4O3S2/c1-33-16-18-34(19-17-33)15-2-20-37-26-13-7-25(8-14-26)35-30(36)29(40-31(35)39)21-23-3-9-27(10-4-23)38-28-11-5-24(22-32)6-12-28/h3-14,21H,2,15-20H2,1H3/b29-21-
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146939
PNG
(CHEMBL3764955)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)S(C)(=O)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H33N3O5S3/c1-32-17-19-33(20-18-32)16-3-21-38-25-10-6-24(7-11-25)34-30(35)29(41-31(34)40)22-23-4-8-26(9-5-23)39-27-12-14-28(15-13-27)42(2,36)37/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146934
PNG
(CHEMBL3765189)
Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C31H33N3O4S2/c1-32-17-19-33(20-18-32)16-3-21-37-26-10-6-24(7-11-26)34-30(35)29(40-31(34)39)22-23-4-8-27(9-5-23)38-28-14-12-25(36-2)13-15-28/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146935
PNG
(CHEMBL3763698)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C31H33N3O3S2/c1-23-4-10-27(11-5-23)37-28-12-6-24(7-13-28)22-29-30(35)34(31(38)39-29)25-8-14-26(15-9-25)36-21-3-16-33-19-17-32(2)18-20-33/h4-15,22H,3,16-21H2,1-2H3/b29-22-
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146941
PNG
(CHEMBL3763572)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H32N4O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20,31H2,1H3/b28-21-
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146938
PNG
(CHEMBL3764998)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C30H30BrN3O3S2/c1-32-16-18-33(19-17-32)15-2-20-36-25-13-7-24(8-14-25)34-29(35)28(39-30(34)38)21-22-3-9-26(10-4-22)37-27-11-5-23(31)6-12-27/h3-14,21H,2,15-20H2,1H3/b28-21-
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146943
PNG
(CHEMBL3765759)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(NS(C)(=O)=O)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C31H34N4O5S3/c1-33-17-19-34(20-18-33)16-3-21-39-26-14-8-25(9-15-26)35-30(36)29(42-31(35)41)22-23-4-10-27(11-5-23)40-28-12-6-24(7-13-28)32-43(2,37)38/h4-15,22,32H,3,16-21H2,1-2H3/b29-22-
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50146932
PNG
(CHEMBL3763439)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(O)=O)cc3)C2=O)CC1
Show InChI InChI=1S/C31H31N3O5S2/c1-32-16-18-33(19-17-32)15-2-20-38-25-13-7-24(8-14-25)34-29(35)28(41-31(34)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)30(36)37/h3-14,21H,2,15-20H2,1H3,(H,36,37)/b28-21-
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n/an/a 9.88E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146942
PNG
(CHEMBL3763983)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)C2=O)CC1
Show InChI InChI=1S/C32H34N4O4S2/c1-23(37)33-25-6-12-29(13-7-25)40-28-10-4-24(5-11-28)22-30-31(38)36(32(41)42-30)26-8-14-27(15-9-26)39-21-3-16-35-19-17-34(2)18-20-35/h4-15,22H,3,16-21H2,1-2H3,(H,33,37)/b30-22-
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Mus musculus)
BDBM50146930
PNG
(CHEMBL3764641)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C33H36N4O4S2/c1-34(2)31(38)25-7-13-29(14-8-25)41-28-11-5-24(6-12-28)23-30-32(39)37(33(42)43-30)26-9-15-27(16-10-26)40-22-4-17-36-20-18-35(3)19-21-36/h5-16,23H,4,17-22H2,1-3H3/b30-23-
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assay


Bioorg Med Chem Lett 26: 1120-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.065
BindingDB Entry DOI: 10.7270/Q2F76FD3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%