Found 3 hits for monomerid = 50377133 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50377133
(CHEMBL257402)Show SMILES O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S3/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25) | 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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate |
Eur J Med Chem 63: 269-78 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50377133
(CHEMBL257402)Show SMILES O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S3/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia 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 |
UCB
Curated by ChEMBL
| Assay Description Inhibition of IKK1 |
Bioorg Med Chem Lett 18: 3622-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50377133
(CHEMBL257402)Show SMILES O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S3/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of IKK2 |
Bioorg Med Chem Lett 18: 3622-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3 |
More data for this Ligand-Target Pair | |