BDBM163644 3[(6,8Dimethyl2oxo1Hquinolin3yl)methyl]3(2hydroxyethyl)1(4hydroxyphenyl)thiourea (Inhibitor R1)

SMILES Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C

InChI Key InChIKey=GJJDKMIHKNXATK-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 163644   

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

LigandPNGBDBM163644(3[(6,8Dimethyl2oxo1Hquinolin3yl)methyl]3(2hydroxye...)
Affinity DataKi:  1.90E+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
PubMedPDB3D3D Structure (crystal)