BDBM50395526 CHEMBL2164421
SMILES: CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO
InChI Key: InChIKey=HWADPPKZZYESMF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50395526 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)) | BDBM50395526
(CHEMBL2164421)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C18H21N3O3S/c1-12(2)17-11-16-15(7-8-19-18(16)21-17)13-3-5-14(6-4-13)25(23,24)20-9-10-22/h3-8,11-12,20,22H,9-10H2,1-2H3,(H,19,21) | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395526
(CHEMBL2164421)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C18H21N3O3S/c1-12(2)17-11-16-15(7-8-19-18(16)21-17)13-3-5-14(6-4-13)25(23,24)20-9-10-22/h3-8,11-12,20,22H,9-10H2,1-2H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |