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BDBM50395524 CHEMBL2164424

SMILES: CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1

InChI Key: InChIKey=HBKASJKFEFLCPR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50395524   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50395524
PNG
(CHEMBL2164424)
Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
Show InChI InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31n/an/an/an/an/an/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))
BDBM50395524
PNG
(CHEMBL2164424)
Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
Show InChI InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/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