BDBM16312 (4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione::CHEMBL266497::Sorbinil

SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1

InChI Key InChIKey=LXANPKRCLVQAOG-NSHDSACASA-N

Data  83 IC50  3 ITC

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 83 hits for monomerid = 16312   

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

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  140nMpH: 7.0 T: 2°CAssay Description:The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [L301M](Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  500nMpH: 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))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  250nMAssay Description:Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  70nMAssay Description:The compound was tested for the inhibition of Aldose reductase in rat lens assay.More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  1.10E+3nMAssay Description:In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentrationMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  230nMAssay Description:Inhibition of aldose reductase from rat lens. Value ranges from 0.07 - 1.2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehyde as substrateMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  190nMAssay Description:Inhibitory activity against aldose reductase in rat lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  20nMAssay Description:Compound was tested for its ability to inhibit crude aldose reductase obtained from rat lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  67nMAssay Description:In vitro inhibition of rabbit lens aldose reductase.More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  500nMAssay Description:Inhibitory activity of the compound was determined against human placental aldose reductase (HPAR) with glyceraldehyde as substrateMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  73nMAssay Description:Concentration required to produce 50% inhibition of aldose reductase enzyme (the literature IC50 value for sorbinil is 0.07 uM)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrateMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibitory activity against human placenta aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  150nMAssay Description:Inhibitory activity against bovine lens aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  1.40E+6nMAssay Description:Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  1.56E+3nMAssay Description:The compound was tested for Inhibitory effect against Aldose reductase 1 in bovine kidneysMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of aldose reductase in rat lens by spectrophotometer analysisMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of bovine aldose reductase assessed as oxidation of NADPHMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  500nMAssay Description:In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  3.04E+3nMAssay Description:In vitro inhibitory activity against Aldose reductase 2 obtained from calf lensesMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member A1(Homo sapiens (Human))
Rational Drug Design Laboratories

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  5.40E+3nMAssay Description:Tested for in vitro inhibition activity against human aldehyde reductase (AHR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  900nMAssay Description:Tested for in vitro inhibition activity against rat Aldose reductase (AR)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Tested for in vitro inhibition activity against human Aldose reductase (human AR)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  9.60E+3nMAssay 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
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  650nMAssay Description:Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  500nMAssay Description:In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member A1(Rattus norvegicus)
Università

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  29nMAssay Description:In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  3.60E+3nMAssay 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(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  250nMAssay Description:In vitro inhibitory activity of compound against rat lens aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  900nMAssay Description:Inhibitory concentration against rat ALR2 aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member A1(Homo sapiens (Human))
Rational Drug Design Laboratories

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  5.40E+3nMAssay Description:Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehydeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibitory concentration against human ALR2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member A1(Sus scrofa)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehydeMore 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
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  3.14E+3nMAssay Description:Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectropho...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  249nMAssay Description:Inhibition of aldose reductase in rat lensesMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  250nMAssay Description:Inhibition of aldose reductase in Fischer-344 rat lens homogenate by spectrometric analysisMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  70nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  620nMAssay Description:Inhibition of Albino rat eye lens ALR2 assessed as NADPH oxidation by spectrophotometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  249nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  550nMAssay 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))
Rational Drug Design Laboratories

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  4.60E+3nMAssay 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
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysisMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  250nMAssay Description:Inhibition of rat lens ALR2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1 [K65Q](Bos taurus (Cattle))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of bovine lens ALR2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  17nMAssay Description:Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  17nMAssay Description:Inhibition of crude aldose reductase of rat lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  180nMAssay Description:Inhibitory concentration against aldose reductase obtained from rat lensMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Auburn University

Curated by ChEMBL
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Affinity DataIC50:  100nMAssay Description:In vitro inhibition of Aldose reductase (AR) from rat lens (RL)More data for this Ligand-Target Pair
Displayed 1 to 50 (of 83 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 16312   

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

SyringePNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
ITC DataΔG°: -9.05kcal/mole logk: 4.50E+6
T: 24.85°C 
CellAldose Reductase (ALR2) Mutant (L300P)(Homo sapiens (Human))
Institute Of Genetics And Molecular And Cellular Biology (Igbmc)

SyringePNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
ITC DataΔG°: -9.24kcal/mole −TΔS°: 1.91kcal/mole ΔH°: -11.2kcal/mole logk: 6.10E+6
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
ITC DataΔG°: -9.05kcal/mole −TΔS°: 3.32kcal/mole ΔH°: -12.4kcal/mole logk: 4.50E+6
pH: 8.0 T: 24.85°C