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PubMed code 1906108

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of Aldose reductase in rat lens assay.


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50010002
PNG
(CHEMBL302057 | [(4-Benzoylamino-benzoyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(26)15-24(19-9-5-2-6-10-19)22(28)17-11-13-18(14-12-17)23-21(27)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,27)(H,25,26)
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n/an/a 240n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009985
PNG
(CHEMBL69716 | [(4-Nitro-benzoyl)-phenyl-amino]-ace...)
Show SMILES OC(=O)CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C15H12N2O5/c18-14(19)10-16(12-4-2-1-3-5-12)15(20)11-6-8-13(9-7-11)17(21)22/h1-9H,10H2,(H,18,19)
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n/an/a 560n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009990
PNG
(CHEMBL305251 | [(4-Benzoylamino-benzoyl)-methyl-am...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O4/c1-19(11-15(20)21)17(23)13-7-9-14(10-8-13)18-16(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009983
PNG
(CHEMBL308898 | [(4-Methoxy-benzoyl)-phenyl-amino]-...)
Show SMILES COc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C16H15NO4/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009992
PNG
(CHEMBL69549 | [(4-Methyl-benzoyl)-phenyl-amino]-ac...)
Show SMILES Cc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C16H15NO3/c1-12-7-9-13(10-8-12)16(20)17(11-15(18)19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009997
PNG
((Benzoyl-phenyl-amino)-acetic acid | CHEMBL273228)
Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(18)11-16(13-9-5-2-6-10-13)15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009978
PNG
(CHEMBL66711 | [(4-Methoxy-benzoyl)-methyl-amino]-a...)
Show SMILES COc1ccc(cc1)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C11H13NO4/c1-12(7-10(13)14)11(15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009984
PNG
(CHEMBL66216 | [(4-Fluoro-benzoyl)-phenyl-amino]-ac...)
Show SMILES OC(=O)CN(C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)15(20)17(10-14(18)19)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009980
PNG
(CHEMBL266688 | [(Naphthalene-1-carbonyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-18(22)13-20(15-9-2-1-3-10-15)19(23)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009988
PNG
(CHEMBL308007 | [(4-Fluoro-benzoyl)-methyl-amino]-a...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009996
PNG
((4-Benzoylamino-benzoylamino)-acetic acid | CHEMBL...)
Show SMILES OC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-6-8-13(9-7-12)18-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009986
PNG
(CHEMBL67361 | [(4-Amino-benzoyl)-methyl-amino]-ace...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H12N2O3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009979
PNG
(CHEMBL67330 | [(4-Amino-benzoyl)-phenyl-amino]-ace...)
Show SMILES Nc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c16-12-8-6-11(7-9-12)15(20)17(10-14(18)19)13-4-2-1-3-5-13/h1-9H,10,16H2,(H,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009987
PNG
(CHEMBL67014 | [Methyl-(4-methyl-benzoyl)-amino]-ac...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H13NO3/c1-8-3-5-9(6-4-8)11(15)12(2)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009991
PNG
(CHEMBL67731 | [Methyl-(naphthalene-2-carbonyl)-ami...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO3/c1-15(9-13(16)17)14(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H,16,17)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009981
PNG
(CHEMBL305492 | [(Naphthalene-2-carbonyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-18(22)13-20(17-8-2-1-3-9-17)19(23)16-11-10-14-6-4-5-7-15(14)12-16/h1-12H,13H2,(H,21,22)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009994
PNG
((4-Phenylacetylamino-benzoylamino)-acetic acid | C...)
Show SMILES OC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O4/c20-15(10-12-4-2-1-3-5-12)19-14-8-6-13(7-9-14)17(23)18-11-16(21)22/h1-9H,10-11H2,(H,18,23)(H,19,20)(H,21,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009998
PNG
((Benzoyl-methyl-amino)-acetic acid | CHEMBL66391)
Show SMILES CN(CC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H11NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50010001
PNG
(CHEMBL68391 | [Methyl-(4-nitro-benzoyl)-amino]-ace...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N2O5/c1-11(6-9(13)14)10(15)7-2-4-8(5-3-7)12(16)17/h2-5H,6H2,1H3,(H,13,14)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009989
PNG
(CHEMBL66895 | [Methyl-(naphthalene-1-carbonyl)-ami...)
Show SMILES CN(CC(O)=O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C14H13NO3/c1-15(9-13(16)17)14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,16,17)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009993
PNG
(CHEMBL67410 | [4-(3-Phenyl-propionylamino)-benzoyl...)
Show SMILES OC(=O)CNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O4/c21-16(11-6-13-4-2-1-3-5-13)20-15-9-7-14(8-10-15)18(24)19-12-17(22)23/h1-5,7-10H,6,11-12H2,(H,19,24)(H,20,21)(H,22,23)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50010000
PNG
((3-Benzoylamino-benzoylamino)-acetic acid | CHEMBL...)
Show SMILES OC(=O)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-7-4-8-13(9-12)18-16(22)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009982
PNG
(CHEMBL8798 | [(Naphthalene-2-carbonyl)-amino]-acet...)
Show SMILES OC(=O)CNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,14,17)(H,15,16)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009995
PNG
(2-(1-naphthamido)acetate | CHEMBL306898 | [(Naphth...)
Show SMILES OC(=O)CNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16)
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n/an/a 2.20E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%