BDBM25942 (3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol::imidazothienopyrazine, 14e

SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CO)c1

InChI Key InChIKey=VBFOQJUDSYRBDR-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25942   

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

LigandPNGBDBM25942((3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,1...)
Affinity DataIC50:  450nMpH: 7.5 T: 2°CAssay 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 ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25942((3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,1...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of human IKKbeta using GST-IkappaBalpha as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25942((3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,1...)
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 ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM25942((3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,1...)
Affinity DataIC50:  8nMAssay 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 ArticlePubMed