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PubMed code 1900532

Compile data set for download or QSAR
Found 44 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


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 0.420n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009844
PNG
(2-fluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H-imi...)
Show SMILES Fc1ccc2-c3ccccc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H9FN2O2/c16-8-5-6-10-9-3-1-2-4-11(9)15(12(10)7-8)13(19)17-14(20)18-15/h1-7H,(H2,17,18,19,20)
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against renal inner medulla aldehyde reductase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009835
PNG
(4-Hydroxy-5-oxo-1-pyridin-4-ylmethyl-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
Show InChI InChI=1S/C13H14N2O4/c1-2-19-13(18)10-8-15(12(17)11(10)16)7-9-3-5-14-6-4-9/h3-6,10H,2,7-8H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Percent inhibition of sorbitol accumulation in rat lens was measured


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009835
PNG
(4-Hydroxy-5-oxo-1-pyridin-4-ylmethyl-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
Show InChI InChI=1S/C13H14N2O4/c1-2-19-13(18)10-8-15(12(17)11(10)16)7-9-3-5-14-6-4-9/h3-6,10H,2,7-8H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009845
PNG
(1-(3,4-Dichloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydr...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O
Show InChI InChI=1S/C14H13Cl2NO4/c1-2-21-14(20)9-7-17(13(19)12(9)18)6-8-3-4-10(15)11(16)5-8/h3-5,9H,2,6-7H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(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
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 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009833
PNG
(1-(9H-Fluoren-9-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H...)
Show SMILES CCOC(=O)C1CN(C2c3ccccc3-c3ccccc23)C(=O)C1=O
Show InChI InChI=1S/C20H17NO4/c1-2-25-20(24)16-11-21(19(23)18(16)22)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16-17H,2,11H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009844
PNG
(2-fluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H-imi...)
Show SMILES Fc1ccc2-c3ccccc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H9FN2O2/c16-8-5-6-10-9-3-1-2-4-11(9)15(12(10)7-8)13(19)17-14(20)18-15/h1-7H,(H2,17,18,19,20)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009849
PNG
(1-(4-Chloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1=O
Show InChI InChI=1S/C14H14ClNO4/c1-2-20-14(19)11-8-16(13(18)12(11)17)7-9-3-5-10(15)6-4-9/h3-6,11H,2,7-8H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009837
PNG
(4-Hydroxy-5-oxo-1-thiophen-2-ylmethyl-2,5-dihydro-...)
Show SMILES CCOC(=O)C1CN(Cc2cccs2)C(=O)C1=O
Show InChI InChI=1S/C12H13NO4S/c1-2-17-12(16)9-7-13(11(15)10(9)14)6-8-4-3-5-18-8/h3-5,9H,2,6-7H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009851
PNG
(4-Hydroxy-1-(4-methoxy-benzyl)-5-oxo-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(OC)cc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO5/c1-3-21-15(19)12-9-16(14(18)13(12)17)8-10-4-6-11(20-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009830
PNG
(4-Hydroxy-5-oxo-1-pyridin-2-ylmethyl-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccccn2)C(=O)C1=O
Show InChI InChI=1S/C13H14N2O4/c1-2-19-13(18)10-8-15(12(17)11(10)16)7-9-5-3-4-6-14-9/h3-6,10H,2,7-8H2,1H3
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n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009831
PNG
(1-(4-Bromo-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Br)cc2)C(=O)C1=O
Show InChI InChI=1S/C14H14BrNO4/c1-2-20-14(19)11-8-16(13(18)12(11)17)7-9-3-5-10(15)6-4-9/h3-6,11H,2,7-8H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 540n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009848
PNG
(4-Hydroxy-5-oxo-1-(1-phenyl-ethyl)-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN([C@H](C)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-3-20-15(19)12-9-16(14(18)13(12)17)10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12?/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009847
PNG
(CHEMBL428672 | ethyl 6-fluoro-4',5'-dioxospiro[3,4...)
Show SMILES CCOC(=O)C1C(=O)C(=O)NC11CCOc2ccc(F)cc12
Show InChI InChI=1S/C15H14FNO5/c1-2-21-14(20)11-12(18)13(19)17-15(11)5-6-22-10-4-3-8(16)7-9(10)15/h3-4,7,11H,2,5-6H2,1H3,(H,17,19)
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n/an/a 910n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009836
PNG
(4-Hydroxy-5-oxo-1-(1-phenyl-ethyl)-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN([C@@H](C)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-3-20-15(19)12-9-16(14(18)13(12)17)10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Percent inhibition of sorbitol accumulation in rat lens was measured


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Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
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 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against pig kidney aldehyde reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009838
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-2-8-20-15(19)12-10-16(14(18)13(12)17)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009846
PNG
(1-(2-Chloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2Cl)C(=O)C1=O
Show InChI InChI=1S/C14H14ClNO4/c1-2-20-14(19)10-8-16(13(18)12(10)17)7-9-5-3-4-6-11(9)15/h3-6,10H,2,7-8H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009843
PNG
(4-Hydroxy-1-naphthalen-1-ylmethyl-5-oxo-2,5-dihydr...)
Show SMILES CCOC(=O)C1CN(Cc2cccc3ccccc23)C(=O)C1=O
Show InChI InChI=1S/C18H17NO4/c1-2-23-18(22)15-11-19(17(21)16(15)20)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15H,2,10-11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009850
PNG
(4-Hydroxy-5-oxo-1-phenethyl-2,5-dihydro-1H-pyrrole...)
Show SMILES CCOC(=O)C1CN(CCc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-2-20-15(19)12-10-16(14(18)13(12)17)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009840
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES COC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C13H13NO4/c1-18-13(17)10-8-14(12(16)11(10)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009842
PNG
(1-Furan-2-ylmethyl-4-hydroxy-5-oxo-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN(Cc2ccco2)C(=O)C1=O
Show InChI InChI=1S/C12H13NO5/c1-2-17-12(16)9-7-13(11(15)10(9)14)6-8-4-3-5-18-8/h3-5,9H,2,6-7H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 3.65E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against pig kidney aldehyde reductase in the presence of 1 uM compound with 3-pyridine carboxaldehyde as substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against whole kidney aldehyde reductase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 3.54E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with DL-glyceraldehyde as substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009839
PNG
(2-Methyl-1,4-dioxo-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O
Show InChI InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/p-1
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n/an/a 8.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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n/an/a 8.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 2.10E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against renal outer medulla aldehyde reductase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 4.80E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against renal cortex aldehyde reductase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009839
PNG
(2-Methyl-1,4-dioxo-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O
Show InChI InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/p-1
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n/an/a 4.90E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%