Found 28 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50390260
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.88E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |