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 6 hits for monomerid = 16452   

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

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 1.90nMAssay Description:Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 10nMAssay Description:Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glucose.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 1.90nMAssay Description:Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataIC50: 41nMAssay Description:Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glyceraldehydeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Affinity DataKi:  19nMAssay Description:Compound was tested for the rate of reduction of glyceraldehyde by human placental aldose reductase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)