BDBM16452 (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid::2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid::Alond::CHEMBL10372::Xedia::Zopolrestat

SMILES c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O

InChI Key InChIKey=BCSVCWVQNOXFGL-UHFFFAOYSA-N

Data  2 KI  30 IC50

PDB links: 21 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16452   

TargetAldo-keto reductase family 1 member B1(Rat)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 5nMAssay Description:Inhibition of Wistar rat lens aldose reductase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 25nMAssay Description:Inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B7(Rat)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 49nMAssay Description:Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2016
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Rat)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 5nMAssay Description:Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)