BDBM50038843 (4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone::(4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-2,3-dihydro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone::2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone::2-(4-bromo-2-fluorobenzyl)-6-fluorospiro[1,2,3,4-tetrahydroisoquinoline-4,3'-(tetrahydro-1'H-pyrrole)]-1,2',3,5'-tetraone::2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE::CHEMBL292963::minalrestat

SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1

InChI Key InChIKey=BMHZAHGTGIZZCT-LJQANCHMSA-N

Data  1 KI  11 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50038843   

TargetAldo-keto reductase family 1 member C21(Mus musculus)
Monash University

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataKi:  1.04E+4nMAssay Description:Inhibition of mouse recombinant AKR1C21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
National Eye Institute

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  72.6nMAssay 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))
National Eye Institute

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  73nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C21(Mus musculus)
Monash University

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  2.75E+4nMAssay Description:Inhibition of mouse recombinant AKR1C21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
National Eye Institute

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human recombinant aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
National Eye Institute

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  12.2nMAssay 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 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  9nMAssay Description:In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparationChecked by AuthorMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  740nMAssay 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
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
National Eye Institute

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  25nMAssay 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 A1(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  6.70nMAssay 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
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  14nMAssay Description:In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparationChecked by AuthorMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member A1(Sus scrofa)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50038843((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Affinity DataIC50:  40nMAssay Description:Inhibition of pig ALR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed