BDBM50395531 CHEMBL2164417
SMILES: Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
InChI Key: InChIKey=YJAXMKLBTAPZLH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50395531 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)) | BDBM50395531
(CHEMBL2164417)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21) | 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 | 12.6 | 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)) | BDBM50395531
(CHEMBL2164417)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 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 | |