BDBM16239 2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid::CHEMBL241577::IDD 393::IDD393 (3)::{5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid

SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=VABIMMIJVWNHFI-UHFFFAOYSA-N

Data  1 IC50  1 Kd  1 ITC

PDB links: 8 PDB IDs match 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 2 hits for monomerid = 16239   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM16239(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM16239(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
Affinity DataKd:  14nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16239   

CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16239(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
ITC DataΔG°: -10.1kcal/mole −TΔS°: 8.81kcal/mole ΔH°: -18.9kcal/mole logk: 2.50E+7
pH: 8.0 T: 24.85°C