BDBM228821 ALR2 inhibitor, 8

SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=ULPCPDPWLSCEDU-UHFFFAOYSA-N

Data  1 Kd  1 ITC

  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 1 hit for monomerid = 228821   

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

LigandPNGBDBM228821(ALR2 inhibitor, 8)
Affinity DataKd:  23nMpH: 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 1 hit for monomerid = 228821   

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

SyringePNGBDBM228821(ALR2 inhibitor, 8)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -5.09kcal/mole ΔH°: -15.7kcal/mole logk: 5.56E+10
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed