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Found 12 hits Enz. Inhib. hit(s) with Target = 'Aldose Reductase (ALR2) Mutant (C298A/W219Y)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16429
PNG
(2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...)
Show SMILES OC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
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PubMed
1.00E+3 -34.2n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


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3D
3D Structure (crystal)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16415
PNG
((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...)
Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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PubMed
7.50E+3 -29.3n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16425
PNG
(2-(2-bromophenyl)acetic acid | 2-Bromophenylacetic...)
Show SMILES OC(=O)Cc1ccccc1Br
Show InChI InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
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1.10E+4 -28.3n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16428
PNG
(2,6-Difluorophenylacetic acid | 2-(2,6-difluorophe...)
Show SMILES OC(=O)Cc1c(F)cccc1F
Show InChI InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
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PubMed
1.20E+4 -28.1n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16426
PNG
(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)
Show SMILES OC(=O)Cc1ccccc1O
Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
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3.20E+4 -25.7n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16424
PNG
(2-(2-chlorophenyl)acetic acid | 2-Chlorophenylacet...)
Show SMILES OC(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
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4.20E+4 -25.0n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16423
PNG
(2-(2-methylphenyl)acetic acid | 2-Methylphenylacet...)
Show SMILES Cc1ccccc1CC(O)=O
Show InChI InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
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6.20E+4 -24.0n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16431
PNG
(2-(naphthalen-2-yl)acetic acid | 2-Napthylacetic a...)
Show SMILES OC(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
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PubMed
9.40E+4 -23.0n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16422
PNG
(2-(2-fluorophenyl)acetic acid | 2-Fluorophenylacet...)
Show SMILES OC(=O)Cc1ccccc1F
Show InChI InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
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1.00E+5 -22.8n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16427
PNG
((p-Chlorophenyl)acetic acid | 2-(4-chlorophenyl)ac...)
Show SMILES OC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
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1.70E+5 -21.5n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16419
PNG
(2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...)
Show SMILES OC(=O)Cc1ccccc1
Show InChI InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
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3.60E+5 -19.7n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16430
PNG
((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...)
Show SMILES OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
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PubMed
1.39E+6 -16.3n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Citation and Details
More data for this
Ligand-Target Pair