BDBM163637 3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2hydroxyethyl)1(3 methoxyphenyl)thiourea (Inh 2)::US9334288, 4

SMILES Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC

InChI Key InChIKey=ANZIHXJDZSQUFB-UHFFFAOYSA-N

Data  3 KI  2 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 7 hits for monomerid = 163637   

TargetBeta-glucuronidase(Human)
University of North Carolina At Chapel Hill

US Patent
LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataIC50: 369nMAssay Description:PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
Go to US Patent

TargetBeta-glucuronidase(Human)
University of North Carolina At Chapel Hill

US Patent
LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataEC50:  28.3nMAssay Description:PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
Go to US Patent

TargetBeta-glucuronidase(Human)
University of North Carolina At Chapel Hill

US Patent
LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataIC50: 378nMAssay Description:PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
Go to US Patent

TargetBeta-glucuronidase(Human)
University of North Carolina At Chapel Hill

US Patent
LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataEC50:  33.2nMAssay Description:PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
Go to US Patent

TargetBeta-glucuronidase(Escherichia coli (strain K12))
University of North Carolina At Chapel Hill

LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataKi:  210nMAssay 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
In Depth
Date in BDB:
2/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-galactosidase [V151I,I185V](Clostridium perfringens)
University of North Carolina At Chapel Hill

LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataKi:  1.10E+3nMAssay 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
In Depth
Date in BDB:
2/10/2016
Entry Details Article
PubMed
TargetBeta-galactosidase(Streptococcus agalactiae (Firmicutes))
University of North Carolina At Chapel Hill

LigandPNGBDBM163637(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Affinity DataKi:  3.00E+3nMAssay 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
In Depth
Date in BDB:
2/10/2016
Entry Details Article
PubMed