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Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM25964'   
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))
BDBM25964
PNG
((2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tri...)
Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(N)=O)c1
Show InChI InChI=1S/C19H20N6OS/c1-11-10-23-17-16(21-2)24-14-9-15(27-18(14)25(11)17)13-5-3-4-12(8-13)6-7-22-19(20)26/h3-5,8-10H,6-7H2,1-2H3,(H,21,24)(H3,20,22,26)
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Article
PubMed
n/an/a 18n/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))
BDBM25964
PNG
((2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tri...)
Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(N)=O)c1
Show InChI InChI=1S/C19H20N6OS/c1-11-10-23-17-16(21-2)24-14-9-15(27-18(14)25(11)17)13-5-3-4-12(8-13)6-7-22-19(20)26/h3-5,8-10H,6-7H2,1-2H3,(H,21,24)(H3,20,22,26)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/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