BDBM163643 2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5dimethoxycyclohexyl)acetamide (Inh 8)::US9334288, 8

SMILES COC1CCC(OC)C(C1)NC(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key InChIKey=AOKPSAUXHJHABU-UHFFFAOYSA-N

Data  1 KI  3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 163643   

TargetBeta-glucuronidase(Escherichia coli (Enterobacteria))
University Of North Carolina At Chapel Hill

LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataKi:  960nMAssay Description:Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 µL assay buffer, 5 µL inhibitor solution, 5 µL of 10 nM enz...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataIC50:  6.43E+3nMAssay Description:Inhibition of beta-glucuronidase (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataIC50:  722nMAssay Description:PheG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataEC50:  793nMAssay Description:PheG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataIC50:  740nMAssay Description:PNPG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM163643(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Affinity DataEC50:  777nMAssay Description:PNPG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent