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BDBM25956 N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine::imidazothienopyrazine, 21b

SMILES: CNc1nc2cc(C)sc2n2c(C)cnc12

InChI Key: InChIKey=NVDHVRGVHGTHNQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25956   
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))
BDBM25956
PNG
(N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3....)
Show SMILES CNc1nc2cc(C)sc2n2c(C)cnc12
Show InChI InChI=1S/C11H12N4S/c1-6-5-13-10-9(12-3)14-8-4-7(2)16-11(8)15(6)10/h4-5H,1-3H3,(H,12,14)
PDB

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KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM25956
PNG
(N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3....)
Show SMILES CNc1nc2cc(C)sc2n2c(C)cnc12
Show InChI InChI=1S/C11H12N4S/c1-6-5-13-10-9(12-3)14-8-4-7(2)16-11(8)15(6)10/h4-5H,1-3H3,(H,12,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.83E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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