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

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 = 228821   

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

LigandPNGBDBM228821(ALR2 inhibitor, 8)
Show SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H11FN2O6/c16-9-4-5-12(13(6-9)24-8-14(19)20)15(21)17-10-2-1-3-11(7-10)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20)
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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 228821   

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