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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16314   

TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
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
TargetAldo-keto reductase family 1 member C21(Mus musculus)
Monash University

Curated by ChEMBL
LigandPNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Affinity DataKi:  2.20E+4nMAssay Description:Inhibition of mouse recombinant AKR1C21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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