BDBM36364 CID9543559::De-ally PAC-1::US10166229, Example de-allyl PAC-1

SMILES Oc1ccccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1

InChI Key InChIKey=VPOFFCAWPSKAPK-KGENOOAVSA-N

Data  2 EC50

  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 = 36364   

TargetCaspase-3(Homo sapiens (Human))
University of Illinois

US Patent
LigandPNGBDBM36364(CID9543559 | De-ally PAC-1 | US10166229, Example d...)
Affinity DataEC50:  430nMAssay Description:Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCaspase-3(Homo sapiens (Human))
University of Illinois

US Patent
LigandPNGBDBM36364(CID9543559 | De-ally PAC-1 | US10166229, Example d...)
Affinity DataEC50:  430nMpH: 7.4 T: 2°CAssay Description:Procaspase-3 activation assay; activation of procaspase-3 to caspase-3. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed