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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50334633'   
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))
BDBM50334633
PNG
((S)-N-(1-(3-(5-(ethylamino)-8-methyl-8H-imidazo[4,...)
Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H22N6OS/c1-5-21-18-15-17(26(4)10-22-15)16-20(25-18)28-19(24-16)14-8-6-7-13(9-14)11(2)23-12(3)27/h6-11H,5H2,1-4H3,(H,21,25)(H,23,27)/t11-/m0/s1
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation


Bioorg Med Chem Lett 21: 7006-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.111
BindingDB Entry DOI: 10.7270/Q2Z038KC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50334633
PNG
((S)-N-(1-(3-(5-(ethylamino)-8-methyl-8H-imidazo[4,...)
Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H22N6OS/c1-5-21-18-15-17(26(4)10-22-15)16-20(25-18)28-19(24-16)14-8-6-7-13(9-14)11(2)23-12(3)27/h6-11H,5H2,1-4H3,(H,21,25)(H,23,27)/t11-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem Lett 21: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.133
BindingDB Entry DOI: 10.7270/Q2ZK5GZD
More data for this
Ligand-Target Pair