BDBM25919 BMS-345541::BMS345541::CHEMBL471496::N-(2-aminoethyl)-3,12-dimethyl-2,5,8-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-amine

SMILES Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

InChI Key InChIKey=PSPFQEBFYXJZEV-UHFFFAOYSA-N

Data  1 KI  10 IC50  442 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25919   

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

LigandPNGBDBM25919(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)
Affinity DataIC50:  4.00E+3nMpH: 8.0 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))
Bristol-Myers Squibb

LigandPNGBDBM25919(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)
Affinity DataIC50:  300nMpH: 8.0 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