null

SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1

InChI Key InChIKey=FXFPQPNUMWQRAO-UHFFFAOYSA-N

PDB links: 2 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 5 hits for monomerid = 16315   

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

LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
Affinity DataIC50: 0.840nMpH: 7.0 T: 2°CAssay Description:The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
Affinity DataIC50: 0.840nMAssay Description:Inhibition of Homo sapiens (human) recombinant aldose reductase using D-glyceraldehyde as substrate incubated for 10 min prior to substrate addition ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16315   

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

SyringePNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
ITC DataΔG°: -8.24kcal/mole logk: 1.10E+6
T: 24.85°C