BDBM50418168 CHEMBL1761515
SMILES: NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
InChI Key: InChIKey=BMOPCAUVXKIAKQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50418168 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)) | BDBM50418168
(CHEMBL1761515)Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31) | 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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK-beta |
Bioorg Med Chem Lett 21: 2255-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50418168
(CHEMBL1761515)Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK-alpha |
Bioorg Med Chem Lett 21: 2255-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3 |
More data for this Ligand-Target Pair | |