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BDBM25920 N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine::benzimidazoquinoxaline analogue, 7a

SMILES: CNc1nc2cc3ccccc3cc2n2c(C)cnc12

InChI Key: InChIKey=UOQMKZIYNRHZEF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 25920   
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 alpha


(Homo sapiens (Human))
BDBM25920
PNG
(N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3...)
Show SMILES CNc1nc2cc3ccccc3cc2n2c(C)cnc12
Show InChI InChI=1S/C16H14N4/c1-10-9-18-16-15(17-2)19-13-7-11-5-3-4-6-12(11)8-14(13)20(10)16/h3-9H,1-2H3,(H,17,19)
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Article
PubMed
n/an/a 230n/an/an/an/a8.030



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: 1233-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.017
BindingDB Entry DOI: 10.7270/Q2V40SJF
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM25920
PNG
(N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3...)
Show SMILES CNc1nc2cc3ccccc3cc2n2c(C)cnc12
Show InChI InChI=1S/C16H14N4/c1-10-9-18-16-15(17-2)19-13-7-11-5-3-4-6-12(11)8-14(13)20(10)16/h3-9H,1-2H3,(H,17,19)
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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))
BDBM25920
PNG
(N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3...)
Show SMILES CNc1nc2cc3ccccc3cc2n2c(C)cnc12
Show InChI InChI=1S/C16H14N4/c1-10-9-18-16-15(17-2)19-13-7-11-5-3-4-6-12(11)8-14(13)20(10)16/h3-9H,1-2H3,(H,17,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/a8.030



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: 1233-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.017
BindingDB Entry DOI: 10.7270/Q2V40SJF
More data for this
Ligand-Target Pair