null
SMILES: COc1cc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc(OC)c1OC
InChI Key: InChIKey=IZGQPLWVVNTXJB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50138383 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)) | BDBM50138383
(CHEMBL132942 | {4-[4-(Piperazine-1-sulfonyl)-pheny...)Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc(OC)c1OC Show InChI InChI=1S/C23H27N5O5S/c1-31-20-14-17(15-21(32-2)22(20)33-3)26-23-25-9-8-19(27-23)16-4-6-18(7-5-16)34(29,30)28-12-10-24-11-13-28/h4-9,14-15,24H,10-13H2,1-3H3,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK2 |
Bioorg Med Chem Lett 14: 409-12 (2003)
BindingDB Entry DOI: 10.7270/Q2WQ036V |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50138383
(CHEMBL132942 | {4-[4-(Piperazine-1-sulfonyl)-pheny...)Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc(OC)c1OC Show InChI InChI=1S/C23H27N5O5S/c1-31-20-14-17(15-21(32-2)22(20)33-3)26-23-25-9-8-19(27-23)16-4-6-18(7-5-16)34(29,30)28-12-10-24-11-13-28/h4-9,14-15,24H,10-13H2,1-3H3,(H,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK1 |
Bioorg Med Chem Lett 14: 409-12 (2003)
BindingDB Entry DOI: 10.7270/Q2WQ036V |
More data for this Ligand-Target Pair | |