null

SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CN)c1

InChI Key InChIKey=ZAUQKMTUOLGTHT-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25957   

TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Homo sapiens (Human))
Bristol-Myers Squibb Company

LigandPNGBDBM25957(4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7...)copy SMILEScopy InChI
Affinity DataIC50: 220nMAssay Description:Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8R50PubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25957(4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7...)copy SMILEScopy InChI
Affinity DataIC50: 8.5nMAssay Description:Inhibition of human IKKbeta using GST-IkappaBalpha as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9SHGPubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25957(4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of human IKKbeta using TMB as substrate after 30 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9RJHPubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25957(4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7...)copy SMILEScopy InChI
Affinity DataIC50: 8.5nMAssay Description:Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8R50PubMed