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PubMed code 1613744

Compile data set for download or QSAR
Found 68 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 (AR)


(Homo sapiens (Human))
BDBM50006490
PNG
((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1
Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006490
PNG
((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1
Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.


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


(Homo sapiens (Human))
BDBM50006496
PNG
((7-Bromo-6-chloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Br)cc2O1
Show InChI InChI=1S/C12H12BrClO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006502
PNG
((+)-(6,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006490
PNG
((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1
Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006500
PNG
((7-Benzyloxy-6-chloro-4-hydroxy-2-methyl-chroman-4...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(OCc3ccccc3)cc2O1
Show InChI InChI=1S/C19H19ClO5/c1-12-9-19(23,10-18(21)22)14-7-15(20)17(8-16(14)25-12)24-11-13-5-3-2-4-6-13/h2-8,12,23H,9-11H2,1H3,(H,21,22)/t12-,19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006530
PNG
((7-Fluoro-4-hydroxy-2-methyl-6-nitro-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(F)cc2O1)[N+]([O-])=O
Show InChI InChI=1S/C12H12FNO6/c1-6-4-12(17,5-11(15)16)7-2-9(14(18)19)8(13)3-10(7)20-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006493
PNG
(4-Carboxymethyl-4-hydroxy-2-methyl-chroman-7-carbo...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(cc2O1)C(O)=O
Show InChI InChI=1S/C13H14O6/c1-7-5-13(18,6-11(14)15)9-3-2-8(12(16)17)4-10(9)19-7/h2-4,7,18H,5-6H2,1H3,(H,14,15)(H,16,17)/t7-,13-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006496
PNG
((7-Bromo-6-chloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Br)cc2O1
Show InChI InChI=1S/C12H12BrClO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006532
PNG
((4-Hydroxy-2-methyl-6-nitro-chroman-4-yl)-acetic a...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)[N+]([O-])=O
Show InChI InChI=1S/C12H13NO6/c1-7-5-12(16,6-11(14)15)9-4-8(13(17)18)2-3-10(9)19-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006507
PNG
((7-Bromo-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Br)cc2O1
Show InChI InChI=1S/C12H12BrFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006533
PNG
((4-Hydroxy-2,7-dimethyl-6-nitro-chroman-4-yl)-acet...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(C)cc2O1)[N+]([O-])=O
Show InChI InChI=1S/C13H15NO6/c1-7-3-11-9(4-10(7)14(18)19)13(17,6-12(15)16)5-8(2)20-11/h3-4,8,17H,5-6H2,1-2H3,(H,15,16)/t8-,13-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006529
PNG
((6-Chloro-7-ethyl-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES CCc1cc2O[C@H](C)C[C@@](O)(CC(O)=O)c2cc1Cl
Show InChI InChI=1S/C14H17ClO4/c1-3-9-4-12-10(5-11(9)15)14(18,7-13(16)17)6-8(2)19-12/h4-5,8,18H,3,6-7H2,1-2H3,(H,16,17)/t8-,14-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006504
PNG
((7-Chloro-4-hydroxy-2-methyl-6-nitro-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(Cl)cc2O1)[N+]([O-])=O
Show InChI InChI=1S/C12H12ClNO6/c1-6-4-12(17,5-11(15)16)7-2-9(14(18)19)8(13)3-10(7)20-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006507
PNG
((7-Bromo-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Br)cc2O1
Show InChI InChI=1S/C12H12BrFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006509
PNG
((6-Cyano-7-fluoro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(C#N)c(F)cc2O1
Show InChI InChI=1S/C13H12FNO4/c1-7-4-13(18,5-12(16)17)9-2-8(6-15)10(14)3-11(9)19-7/h2-3,7,18H,4-5H2,1H3,(H,16,17)/t7-,13-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006502
PNG
((+)-(6,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006502
PNG
((+)-(6,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.


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


(Homo sapiens (Human))
BDBM50006502
PNG
((+)-(6,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006513
PNG
((6-Chloro-4-hydroxy-7-methoxy-2-methyl-chroman-4-y...)
Show SMILES COc1cc2O[C@H](C)C[C@@](O)(CC(O)=O)c2cc1Cl
Show InChI InChI=1S/C13H15ClO5/c1-7-5-13(17,6-12(15)16)8-3-9(14)11(18-2)4-10(8)19-7/h3-4,7,17H,5-6H2,1-2H3,(H,15,16)/t7-,13-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006506
PNG
((6-Fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C12H13FO4/c1-7-5-12(16,6-11(14)15)9-4-8(13)2-3-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006524
PNG
((6-Chloro-4-hydroxy-2,7-dimethyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(C)cc2O1
Show InChI InChI=1S/C13H15ClO4/c1-7-3-11-9(4-10(7)14)13(17,6-12(15)16)5-8(2)18-11/h3-4,8,17H,5-6H2,1-2H3,(H,15,16)/t8-,13-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006498
PNG
((6,7-Difluoro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C12H12F2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006506
PNG
((6-Fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C12H13FO4/c1-7-5-12(16,6-11(14)15)9-4-8(13)2-3-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006498
PNG
((6,7-Difluoro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C12H12F2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006508
PNG
((2-tert-Butyl-6-fluoro-4-hydroxy-chroman-4-yl)-ace...)
Show SMILES CC(C)(C)[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C15H19FO4/c1-14(2,3)12-7-15(19,8-13(17)18)10-6-9(16)4-5-11(10)20-12/h4-6,12,19H,7-8H2,1-3H3,(H,17,18)/t12-,15+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006519
PNG
((6-Chloro-7-fluoro-4-hydroxy-2-methyl-chroman-4-yl...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(F)cc2O1
Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006535
PNG
((6-Chloro-4-hydroxy-2-methyl-3,4-dihydro-2H-benzo[...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c3ccccc3c2O1
Show InChI InChI=1S/C16H15ClO4/c1-9-7-16(20,8-14(18)19)12-6-13(17)10-4-2-3-5-11(10)15(12)21-9/h2-6,9,20H,7-8H2,1H3,(H,18,19)/t9-,16-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006534
PNG
((4-Hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-acet...)
Show SMILES CC1(C)C[C@@](O)(CC(O)=O)c2cc(ccc2O1)[N+]([O-])=O
Show InChI InChI=1S/C13H15NO6/c1-12(2)7-13(17,6-11(15)16)9-5-8(14(18)19)3-4-10(9)20-12/h3-5,17H,6-7H2,1-2H3,(H,15,16)/t13-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006519
PNG
((6-Chloro-7-fluoro-4-hydroxy-2-methyl-chroman-4-yl...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(F)cc2O1
Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006503
PNG
((6-Fluoro-4-hydroxy-2-isopropyl-chroman-4-yl)-acet...)
Show SMILES CC(C)[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C14H17FO4/c1-8(2)12-6-14(18,7-13(16)17)10-5-9(15)3-4-11(10)19-12/h3-5,8,12,18H,6-7H2,1-2H3,(H,16,17)/t12-,14+/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006523
PNG
((6-Fluoro-4-hydroxy-chroman-4-yl)-acetic acid | CH...)
Show SMILES OC(=O)C[C@]1(O)CCOc2ccc(F)cc12
Show InChI InChI=1S/C11H11FO4/c12-7-1-2-9-8(5-7)11(15,3-4-16-9)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14)/t11-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006488
PNG
((2-Ethyl-6-fluoro-4-hydroxy-chroman-4-yl)-acetic a...)
Show SMILES CC[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C13H15FO4/c1-2-9-6-13(17,7-12(15)16)10-5-8(14)3-4-11(10)18-9/h3-5,9,17H,2,6-7H2,1H3,(H,15,16)/t9-,13-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006536
PNG
((6-Acetyl-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)C(C)=O
Show InChI InChI=1S/C14H16O5/c1-8-6-14(18,7-13(16)17)11-5-10(9(2)15)3-4-12(11)19-8/h3-5,8,18H,6-7H2,1-2H3,(H,16,17)/t8-,14-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006510
PNG
((7,8-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(Cl)c(Cl)c2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-9(15)16)7-2-3-8(13)10(14)11(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006512
PNG
((6-Chloro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)ccc2O1
Show InChI InChI=1S/C12H13ClO4/c1-7-5-12(16,6-11(14)15)9-4-8(13)2-3-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006538
PNG
((6-Fluoro-4-hydroxy-2,3-dimethyl-chroman-4-yl)-ace...)
Show SMILES C[C@H]1Oc2ccc(F)cc2[C@](O)(CC(O)=O)[C@H]1C
Show InChI InChI=1S/C13H15FO4/c1-7-8(2)18-11-4-3-9(14)5-10(11)13(7,17)6-12(15)16/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)/t7-,8+,13-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006491
PNG
((6-Fluoro-4-hydroxy-2-propyl-chroman-4-yl)-acetic ...)
Show SMILES CCC[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C14H17FO4/c1-2-3-10-7-14(18,8-13(16)17)11-6-9(15)4-5-12(11)19-10/h4-6,10,18H,2-3,7-8H2,1H3,(H,16,17)/t10-,14-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006521
PNG
((6,8-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)cc(Cl)c2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-10(15)16)8-2-7(13)3-9(14)11(8)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006499
PNG
((6-Fluoro-4-hydroxy-2-phenethyl-chroman-4-yl)-acet...)
Show SMILES OC(=O)C[C@]1(O)C[C@@H](CCc2ccccc2)Oc2ccc(F)cc12
Show InChI InChI=1S/C19H19FO4/c20-14-7-9-17-16(10-14)19(23,12-18(21)22)11-15(24-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-10,15,23H,6,8,11-12H2,(H,21,22)/t15-,19-/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006511
PNG
((6-Chloro-4-hydroxy-2,8-dimethyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)cc(C)c2O1
Show InChI InChI=1S/C13H15ClO4/c1-7-3-9(14)4-10-12(7)18-8(2)5-13(10,17)6-11(15)16/h3-4,8,17H,5-6H2,1-2H3,(H,15,16)/t8-,13-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50368324
PNG
(CHEMBL1744091)
Show SMILES OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C18H15FO5/c19-12-6-7-14-13(8-12)18(23,10-16(20)21)9-15(24-14)17(22)11-4-2-1-3-5-11/h1-8,15,23H,9-10H2,(H,20,21)/t15-,18+/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006520
PNG
((5,6-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)c(Cl)ccc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-9(15)16)10-8(18-6)3-2-7(13)11(10)14/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006492
PNG
((4-Hydroxy-2,5-dimethyl-5-nitro-3,4,5,6-tetrahydro...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)C2=C(O1)C=CCC2(C)[N+]([O-])=O
Show InChI InChI=1S/C13H17NO6/c1-8-6-13(17,7-10(15)16)11-9(20-8)4-3-5-12(11,2)14(18)19/h3-4,8,17H,5-7H2,1-2H3,(H,15,16)/t8-,12?,13-/m1/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006531
PNG
((6-Bromo-4-hydroxy-2-methyl-chroman-4-yl)-acetic a...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Br)ccc2O1
Show InChI InChI=1S/C12H13BrO4/c1-7-5-12(16,6-11(14)15)9-4-8(13)2-3-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006527
PNG
((6,7-Dichloro-4-hydroxy-2,2-dimethyl-chroman-4-yl)...)
Show SMILES CC1(C)C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C13H14Cl2O4/c1-12(2)6-13(18,5-11(16)17)7-3-8(14)9(15)4-10(7)19-12/h3-4,18H,5-6H2,1-2H3,(H,16,17)/t13-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006517
PNG
((7-Fluoro-9-hydroxy-1,2,3,3a,9,9a-hexahydro-cyclop...)
Show SMILES OC(=O)C[C@]1(O)[C@H]2CCC[C@H]2Oc2ccc(F)cc12
Show InChI InChI=1S/C14H15FO4/c15-8-4-5-12-10(6-8)14(18,7-13(16)17)9-2-1-3-11(9)19-12/h4-6,9,11,18H,1-3,7H2,(H,16,17)/t9-,11+,14-/m0/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006540
PNG
((6-Fluoro-4-hydroxy-2-phenyl-chroman-4-yl)-acetic ...)
Show SMILES OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/C17H15FO4/c18-12-6-7-14-13(8-12)17(21,10-16(19)20)9-15(22-14)11-4-2-1-3-5-11/h1-8,15,21H,9-10H2,(H,19,20)/t15-,17+/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006514
PNG
((7-Chloro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(Cl)cc2O1
Show InChI InChI=1S/C12H13ClO4/c1-7-5-12(16,6-11(14)15)9-3-2-8(13)4-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 3.32E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006489
PNG
((6-Fluoro-4-hydroxy-2,2-dimethyl-chroman-4-yl)-ace...)
Show SMILES CC1(C)C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C13H15FO4/c1-12(2)7-13(17,6-11(15)16)9-5-8(14)3-4-10(9)18-12/h3-5,17H,6-7H2,1-2H3,(H,15,16)/t13-/m0/s1
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n/an/a 3.46E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006516
PNG
((5-Bromo-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Br)c(F)ccc2O1
Show InChI InChI=1S/C12H12BrFO4/c1-6-4-12(17,5-9(15)16)10-8(18-6)3-2-7(14)11(10)13/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006501
PNG
((6-Bromo-8-chloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Br)cc(Cl)c2O1
Show InChI InChI=1S/C12H12BrClO4/c1-6-4-12(17,5-10(15)16)8-2-7(13)3-9(14)11(8)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 5.16E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006522
PNG
((7-Fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(F)cc2O1
Show InChI InChI=1S/C12H13FO4/c1-7-5-12(16,6-11(14)15)9-3-2-8(13)4-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 5.42E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006502
PNG
((+)-(6,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 5.62E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.


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


(Homo sapiens (Human))
BDBM50006539
PNG
((8-Chloro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cccc(Cl)c2O1
Show InChI InChI=1S/C12H13ClO4/c1-7-5-12(16,6-10(14)15)8-3-2-4-9(13)11(8)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006505
PNG
(CHEMBL308920 | [2-(3,4-Dichloro-benzoyl)-6-fluoro-...)
Show SMILES OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2FO5/c19-12-3-1-9(5-13(12)20)17(24)15-7-18(25,8-16(22)23)11-6-10(21)2-4-14(11)26-15/h1-6,15,25H,7-8H2,(H,22,23)/t15-,18+/m0/s1
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n/an/a 7.65E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006497
PNG
((4-Hydroxy-6-methanesulfonyl-2-methyl-chroman-4-yl...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)S(C)(=O)=O
Show InChI InChI=1S/C13H16O6S/c1-8-6-13(16,7-12(14)15)10-5-9(20(2,17)18)3-4-11(10)19-8/h3-5,8,16H,6-7H2,1-2H3,(H,14,15)/t8-,13-/m1/s1
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n/an/a 8.22E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006518
PNG
((7-Fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xan...)
Show SMILES OC(=O)C[C@]1(O)[C@H]2CCCC[C@H]2Oc2ccc(F)cc12
Show InChI InChI=1S/C15H17FO4/c16-9-5-6-13-11(7-9)15(19,8-14(17)18)10-3-1-2-4-12(10)20-13/h5-7,10,12,19H,1-4,8H2,(H,17,18)/t10-,12+,15-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006526
PNG
((6-Fluoro-4-hydroxy-3-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1COc2ccc(F)cc2[C@]1(O)CC(O)=O
Show InChI InChI=1S/C12H13FO4/c1-7-6-17-10-3-2-8(13)4-9(10)12(7,16)5-11(14)15/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006484
PNG
((4-Hydroxy-2,6-dimethyl-chroman-4-yl)-acetic acid ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(C)ccc2O1
Show InChI InChI=1S/C13H16O4/c1-8-3-4-11-10(5-8)13(16,7-12(14)15)6-9(2)17-11/h3-5,9,16H,6-7H2,1-2H3,(H,14,15)/t9-,13-/m1/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006528
PNG
((5,8-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)ccc(Cl)c2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-9(15)16)10-7(13)2-3-8(14)11(10)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 1.31E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006486
PNG
((5,6-Dichloro-4-hydroxy-2,2-dimethyl-chroman-4-yl)...)
Show SMILES CC1(C)C[C@@](O)(CC(O)=O)c2c(Cl)c(Cl)ccc2O1
Show InChI InChI=1S/C13H14Cl2O4/c1-12(2)6-13(18,5-9(16)17)10-8(19-12)4-3-7(14)11(10)15/h3-4,18H,5-6H2,1-2H3,(H,16,17)/t13-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006515
PNG
((4-Hydroxy-2-methyl-chroman-4-yl)-acetic acid | CH...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2ccccc2O1
Show InChI InChI=1S/C12H14O4/c1-8-6-12(15,7-11(13)14)9-4-2-3-5-10(9)16-8/h2-5,8,15H,6-7H2,1H3,(H,13,14)/t8-,12-/m1/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006537
PNG
((6-Fluoro-4-hydroxy-2,3-dimethyl-chroman-4-yl)-ace...)
Show SMILES C[C@H]1Oc2ccc(F)cc2[C@](O)(CC(O)=O)[C@@H]1C
Show InChI InChI=1S/C13H15FO4/c1-7-8(2)18-11-4-3-9(14)5-10(11)13(7,17)6-12(15)16/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)/t7-,8-,13+/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006487
PNG
((5,7-Dichloro-4-hydroxy-2-methyl-chroman-4-yl)-ace...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)cc(Cl)cc2O1
Show InChI InChI=1S/C12H12Cl2O4/c1-6-4-12(17,5-10(15)16)11-8(14)2-7(13)3-9(11)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006485
PNG
((5-Chloro-4-hydroxy-2-methyl-chroman-4-yl)-acetic ...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)cccc2O1
Show InChI InChI=1S/C12H13ClO4/c1-7-5-12(16,6-10(14)15)11-8(13)3-2-4-9(11)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
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n/an/a 4.35E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006494
PNG
((6-Chloro-4-hydroxy-2-methyl-5-nitro-chroman-4-yl)...)
Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2c(O1)ccc(Cl)c2[N+]([O-])=O
Show InChI InChI=1S/C12H12ClNO6/c1-6-4-12(17,5-9(15)16)10-8(20-6)3-2-7(13)11(10)14(18)19/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
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n/an/a 9.55E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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


(Homo sapiens (Human))
BDBM50006525
PNG
((4-Hydroxy-6-methoxy-2-methyl-chroman-4-yl)-acetic...)
Show SMILES COc1ccc2O[C@H](C)C[C@@](O)(CC(O)=O)c2c1
Show InChI InChI=1S/C13H16O5/c1-8-6-13(16,7-12(14)15)10-5-9(17-2)3-4-11(10)18-8/h3-5,8,16H,6-7H2,1-2H3,(H,14,15)/t8-,13-/m1/s1
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n/an/a 2.81E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental aldose reductase


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