Found 52 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)) | BDBM50390272
(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- | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/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
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)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) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |
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
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |
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
(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- | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 |
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
(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- | 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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 |
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
(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- | 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 |
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
(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- | 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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 |
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
(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- | 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 |
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
(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- | 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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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 | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | 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+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |