BDBM228822 ALR2 inhibitor, 11

SMILES OC(=O)COc1ccc(cc1C(=O)NCc1cccc(c1)[N+]([O-])=O)-c1ccccc1

InChI Key InChIKey=YDJQSGAIAXGWHG-UHFFFAOYSA-N

Data  1 Kd  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228822   

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

LigandPNGBDBM228822(ALR2 inhibitor, 11)
Affinity DataKd:  15nMpH: 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 sidPDB

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 228822   

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

SyringePNGBDBM228822(ALR2 inhibitor, 11)
ITC DataΔG°: -10.4kcal/mole −TΔS°: -2.94kcal/mole ΔH°: -13.3kcal/mole logk: 4.17E+10
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB