BDBM228820 2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid (6)

SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1ccccc1

InChI Key InChIKey=YEPWCTBSDKUKGO-UHFFFAOYSA-N

Data  1 Kd  2 ITC

  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 = 228820   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Philipps-Universitšt Marburg

LigandPNGBDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
Affinity DataKd:  7.50E+3nMpH: 8.5Assay Description:The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 228820   

CellAldose reductase (AR)(Homo sapiens (Human))
Philipps-Universitšt Marburg

SyringePNGBDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -7.00kcal/mole −TΔS°: -0.142kcal/mole ΔH°: -7.14kcal/mole logk: 1.33E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
Philipps-Universitšt Marburg

SyringePNGBDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -6.88kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -7.31kcal/mole logk: 1.10E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed