BDBM50125096 1,4-Dibenzyl-piperazine::1,4-Dibenzyl-piperazine, 9::1,4-Dibenzylpiperazine::CHEMBL162522::US10166229, Example 00032

SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1

InChI Key InChIKey=YPUGLZQRXQQCSX-UHFFFAOYSA-N

Data  3 KI  1 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50125096   

TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Nstri

Curated by ChEMBL
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataKi:  5.80nMAssay Description:Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataKi:  5.80nMAssay Description:Binding affinity towards Sigma-1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataKi:  5.81nMAssay Description:Binding affinity to sigma1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University of Illinois

US Patent
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataEC50: >5.00E+4nMAssay 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
TargetMyeloperoxidase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University of Illinois

US Patent
LigandPNGBDBM50125096(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Affinity DataEC50: >5.00E+4nMpH: 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