BDBM16314 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid::Alredase::CHEMBL436::N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine::Tolrestat
SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
InChI Key InChIKey=LUBHDINQXIHVLS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 45 hits for monomerid = 16314
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of rat AKR1B4More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 13nMAssay Description:The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...More data for this Ligand-Target Pair
Affinity DataIC50: 540nMAssay Description:Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase valuesMore data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 33nMAssay Description:In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparationMore data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBCMore data for this Ligand-Target Pair
Affinity DataIC50: 1.21E+3nMAssay Description:Evaluated for inhibition of Aldehyde reductase 1More data for this Ligand-Target Pair
Affinity DataIC50: 96nMAssay Description:Evaluated for inhibition of Aldose reductase 2More data for this Ligand-Target Pair
Affinity DataIC50: 47nMAssay Description:Inhibitory Activity against Human recombinant Aldose Reductase (wild type)More data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:Inhibitory activity against aldose reductase enzymeMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Pig)
University of California San Francisco
Curated by ChEMBL
University of California San Francisco
Curated by ChEMBL
Affinity DataIC50: 30nMAssay Description:Inhibition of aldose reductase from pig lensesMore data for this Ligand-Target Pair
Affinity DataIC50: 720nMAssay Description:Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reductionMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Human)
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Affinity DataIC50: 12nMAssay Description:Inhibition of retinaldehyde reductase activity of human AKR1B10More data for this Ligand-Target Pair
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of mouse recombinant AKR1C21More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of human recombinant aldose reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:In vitro inhibition of Aldose reductase (AR) from rat lens (RL)More data for this Ligand-Target Pair
Affinity DataIC50: 1.85E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric methodMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Human)
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Affinity DataIC50: 54nMAssay Description:Inhibition of human N-terminal His-tagged AKR1B10 expressed in Escherichia coli BL21 using retinaldehyde as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of human AKR1B1 assessed as decrease in glyceraldehyde reductionMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 65nMAssay Description:Inhibition of C-terminal 6His-tagged human recombinant SCoR2 AKR1A1 expressed in Escherichia coli BL21-CodonPlus competent cells using DL-glyceraldeh...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Pig)
University of California San Francisco
Curated by ChEMBL
University of California San Francisco
Curated by ChEMBL
Affinity DataIC50: 15nMAssay Description:In vitro inhibitory activity against aldose reductase in porcine lens.More data for this Ligand-Target Pair
Affinity DataIC50: 1.94E+3nMAssay Description:The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Human)
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Affinity DataIC50: 1.20nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
Affinity DataIC50: 1nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
Affinity DataIC50: 33nMAssay Description:In vitro inhibition of aldose reductase in partially purified bovine lens preparation at a concentration of 10e -8M.More data for this Ligand-Target Pair
Affinity DataIC50: 34nMAssay Description:In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-6 M concentrationMore data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:In vitro inhibition of aldose reductase from the partially purified bovine lensMore data for this Ligand-Target Pair
Affinity DataIC50: 950nMAssay Description:In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)More data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 540nMAssay Description:Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentrationMore data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:In vitro inhibition of bovine lens aldose reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Human)
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Affinity DataIC50: 54nMAssay Description:Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lensMore data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.More data for this Ligand-Target Pair
Affinity DataIC50: 400nMAssay Description:In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determinedMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Pig)
University of California San Francisco
Curated by ChEMBL
University of California San Francisco
Curated by ChEMBL
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of pig kidney aldose reductase (ALR2)More data for this Ligand-Target Pair
Affinity DataIC50: 2.19E+3nMAssay Description:Inhibition of pig ALR1More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Pig)
University of California San Francisco
Curated by ChEMBL
University of California San Francisco
Curated by ChEMBL
Affinity DataIC50: 16nMAssay Description:Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibition of Albino rat eye lens ALR2 assessed as NADPH oxidation by spectrophotometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Human)
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Universitat Aut£Noma De Barcelona
Curated by ChEMBL
Affinity DataKi: 50nMAssay Description:Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...More data for this Ligand-Target Pair
Affinity DataKi: 2.20E+4nMAssay Description:Inhibition of mouse recombinant AKR1C21More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 16314
ITC DataΔG°: -9.08kcal/mole logk: 4.60E+6
T: 24.85°C
T: 24.85°C