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PubMed code 3925146

Compile data set for download or QSAR
Found 43 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
Aldose reductase


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
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 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Homo sapiens (Human))
BDBM50025972
PNG
(7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...)
Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1
Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025978
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid | CH...)
Show SMILES OC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C10H6O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,11H,(H,13,14)
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase (HPAR).


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50025978
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid | CH...)
Show SMILES OC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C10H6O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,11H,(H,13,14)
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat lens aldose reductase (RLAR).


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50025973
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethy...)
Show SMILES CCOC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat lens aldose reductase (RLAR).


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50025980
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid benz...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H12O5/c18-12-6-7-13-14(19)9-16(22-15(13)8-12)17(20)21-10-11-4-2-1-3-5-11/h1-9,18H,10H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat lens aldose reductase (RLAR).


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025972
PNG
(7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...)
Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1
Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50025977
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid isop...)
Show SMILES CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H12O5/c1-7(2)17-13(16)12-6-10(15)9-4-3-8(14)5-11(9)18-12/h3-7,14H,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat lens aldose reductase (RLAR).


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025979
PNG
(3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at time 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025980
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid benz...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H12O5/c18-12-6-7-13-14(19)9-16(22-15(13)8-12)17(20)21-10-11-4-2-1-3-5-11/h1-9,18H,10H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase (HPAR)


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025972
PNG
(7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...)
Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1
Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025979
PNG
(3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at at time 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025976
PNG
(3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025977
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid isop...)
Show SMILES CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H12O5/c1-7(2)17-13(16)12-6-10(15)9-4-3-8(14)5-11(9)18-12/h3-7,14H,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase (HPAR)


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025979
PNG
(3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025975
PNG
(3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...)
Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025972
PNG
(7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...)
Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1
Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
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 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025973
PNG
(7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethy...)
Show SMILES CCOC(=O)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase (HPAR)


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025975
PNG
(3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...)
Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025972
PNG
(7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...)
Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1
Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(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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n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025975
PNG
(3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...)
Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at at time 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
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 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Homo sapiens (Human))
BDBM50025975
PNG
(3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...)
Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025979
PNG
(3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025979
PNG
(3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)
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n/an/a 8.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025975
PNG
(3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...)
Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(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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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(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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n/an/a 3.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025976
PNG
(3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025976
PNG
(3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(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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n/an/a 7.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at at day 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(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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n/an/a 1.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50025976
PNG
(3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50025976
PNG
(3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
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n/an/a 2.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 2


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
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 1.40E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
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 2.20E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8


J Med Chem 28: 841-9 (1985)


Article DOI: 10.1021/jm00145a001
BindingDB Entry DOI: 10.7270/Q2J965DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%