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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 163643   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163643
PNG
(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Show SMILES COC1CCC(OC)C(C1)NC(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1/C22H33N3O5/c1-27-17-4-6-19(28-2)18(12-17)23-22(26)14-25-9-7-24(8-10-25)13-16-3-5-20-21(11-16)30-15-29-20/h3,5,11,17-19H,4,6-10,12-15H2,1-2H3,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/an/an/a 777n/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163643
PNG
(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Show SMILES COC1CCC(OC)C(C1)NC(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1/C22H33N3O5/c1-27-17-4-6-19(28-2)18(12-17)23-22(26)14-25-9-7-24(8-10-25)13-16-3-5-20-21(11-16)30-15-29-20/h3,5,11,17-19H,4,6-10,12-15H2,1-2H3,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/an/an/a 793n/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair