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

Data  2 KI  42 IC50  1 ITC

PDB links: 7 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 16314   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
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(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataIC50:  24nMAssay Description:Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBCChecked by AuthorMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataIC50:  47nMAssay Description:Inhibitory Activity against Human recombinant Aldose Reductase (wild type)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataIC50:  35nMAssay Description:Inhibitory activity against aldose reductase enzymeMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human recombinant aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataIC50:  10nMAssay Description:Inhibition of human AKR1B1 assessed as decrease in glyceraldehyde reductionMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16314   

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

SyringePNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
ITC DataΔG°: -9.08kcal/mole logk: 4.60E+6
T: 24.85°C