BDBM50413880 CHEMBL482746
SMILES: O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]ccc12
InChI Key: InChIKey=DKWGAYFHMCUJEN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50413880 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 alpha
(Homo sapiens (Human)) | BDBM50413880
(CHEMBL482746)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C18H19N3O4S2/c22-26(23)11-7-14(8-12-26)21-27(24,25)15-3-1-13(2-4-15)16-5-9-19-18-17(16)6-10-20-18/h1-6,9-10,14,21H,7-8,11-12H2,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IKK1 |
Bioorg Med Chem Lett 19: 2504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50413880
(CHEMBL482746)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C18H19N3O4S2/c22-26(23)11-7-14(8-12-26)21-27(24,25)15-3-1-13(2-4-15)16-5-9-19-18-17(16)6-10-20-18/h1-6,9-10,14,21H,7-8,11-12H2,(H,19,20) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IKK2 |
Bioorg Med Chem Lett 19: 2504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN |
More data for this Ligand-Target Pair | |