Found 3 hits for monomerid = 50377141 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)) | BDBM50377141
(CHEMBL254556)Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28| Show InChI InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28) | 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 | 129 | 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)) | BDBM50377141
(CHEMBL254556)Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28| Show InChI InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 146 | 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)) | BDBM50377141
(CHEMBL254556)Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28| Show InChI InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28) | 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 | 130 | 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 | |