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Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM25963'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM25963
PNG
(N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-t...)
Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(C)=O)c1
Show InChI InChI=1S/C20H21N5OS/c1-12-11-23-19-18(21-3)24-16-10-17(27-20(16)25(12)19)15-6-4-5-14(9-15)7-8-22-13(2)26/h4-6,9-11H,7-8H2,1-3H3,(H,21,24)(H,22,26)
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human IKKbeta using GST-IkappaBalpha as substrate


Eur J Med Chem 63: 269-78 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.045
BindingDB Entry DOI: 10.7270/Q2XG9SHG
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM25963
PNG
(N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-t...)
Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(C)=O)c1
Show InChI InChI=1S/C20H21N5OS/c1-12-11-23-19-18(21-3)24-16-10-17(27-20(16)25(12)19)15-6-4-5-14(9-15)7-8-22-13(2)26/h4-6,9-11H,7-8H2,1-3H3,(H,21,24)(H,22,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...


Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
BindingDB Entry DOI: 10.7270/Q2QF8R50
More data for this
Ligand-Target Pair