BDBM50395535 CHEMBL2164413
SMILES: CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
InChI Key: InChIKey=RDTKDSIRKDXUTE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50395535 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)) | BDBM50395535
(CHEMBL2164413)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24) | 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)) | BDBM50395535
(CHEMBL2164413)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25.1 | 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 | |