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Compile Data Set for Download or QSAR

Found 2125 hits of ic50 data for polymerid = 50001338,50002198,8165,8450   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


J Med Chem 34: 1011-8 (1991)

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


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 0.840n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


J Med Chem 34: 1011-8 (1991)

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


(Homo sapiens (Human))
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 1n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 1n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


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


(Homo sapiens (Human))
BDBM50009806
PNG
(CHEMBL20207 | [3-(7-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-13-17(12)26-15(20-13)9-22-18(25)11-5-2-1-4-10(11)14(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 1n/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 2n/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL)


J Med Chem 34: 3229-34 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009763
PNG
(CHEMBL20024 | [3-(4-Fluoro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12FN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM50006469
PNG
(CHEMBL69956 | [8-Oxo-7-(5-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C18H11F3N4O3S/c19-18(20,21)9-3-4-13-12(6-9)23-14(29-13)8-25-17(28)16-10(2-1-5-22-16)11(24-25)7-15(26)27/h1-6H,7-8H2,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50122956
PNG
(CHEMBL138065 | [2,4-Bis-(4-methoxy-benzoyl)-pyrrol...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(C(=O)c2ccc(OC)cc2)n(CC(O)=O)c1
Show InChI InChI=1S/C22H19NO6/c1-28-17-7-3-14(4-8-17)21(26)16-11-19(23(12-16)13-20(24)25)22(27)15-5-9-18(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,24,25)
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n/an/a 2.36n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase enzyme


Citation and Details
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


J Med Chem 34: 1011-8 (1991)

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


(Homo sapiens (Human))
BDBM16633
PNG
(6-[(5-fluoro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9FN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 3n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


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


(Homo sapiens (Human))
BDBM16313
PNG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
Show SMILES OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009767
PNG
(2-(4-oxo-3-((6-(trifluoromethyl)benzo[d]thiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(cc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-13-15(7-10)29-16(23-13)9-25-18(28)12-4-2-1-3-11(12)14(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


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


(Homo sapiens (Human))
BDBM50009781
PNG
(CHEMBL20169 | [3-(5-Bromo-benzothiazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 457-65 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase enzyme


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


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50008471
PNG
(CHEMBL143234 | [3-(5,7-Difluoro-benzooxazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O4/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 457-65 (1992)

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


(Homo sapiens (Human))
BDBM50006475
PNG
(CHEMBL71966 | {1-[3-(2,3-Difluoro-phenyl)-[1,2,4]o...)
Show SMILES Cc1c(C)c(=O)n(Cc2nc(no2)-c2cccc(F)c2F)nc1CC(O)=O
Show InChI InChI=1S/C17H14F2N4O4/c1-8-9(2)17(26)23(21-12(8)6-14(24)25)7-13-20-16(22-27-13)10-4-3-5-11(18)15(10)19/h3-5H,6-7H2,1-2H3,(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

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


(Homo sapiens (Human))
BDBM50009828
PNG
(CHEMBL20015 | [3-(4-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 4n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


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


(Homo sapiens (Human))
BDBM50006459
PNG
(CHEMBL304995 | [3-(5,7-Difluoro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2CCCCc12
Show InChI InChI=1S/C18H15F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h5-6H,1-4,7-8H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

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


(Homo sapiens (Human))
BDBM50009784
PNG
(CHEMBL278991 | [3-(5,7-Dichloro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16496
PNG
(2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...)
Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
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n/an/a 4.40n/an/an/an/an/an/a



National Eye Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat lens aldose reductase (RLAR)


J Med Chem 37: 787-92 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006470
PNG
(CHEMBL73505 | [5-Chloro-1-(5-fluoro-benzothiazol-2...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H11ClFN3O2S/c18-9-1-3-14-11(5-9)12(7-17(23)24)21-22(14)8-16-20-13-6-10(19)2-4-15(13)25-16/h1-6H,7-8H2,(H,23,24)
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

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


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM16469
PNG
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry


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


(Rattus norvegicus)
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry


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


(Homo sapiens (Human))
BDBM16469
PNG
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


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


(Rattus norvegicus)
BDBM50010283
PNG
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)
Show SMILES Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)


J Med Chem 34: 3229-34 (1991)

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


(Homo sapiens (Human))
BDBM16485
PNG
(2-{6-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...)
Show SMILES COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
Show InChI InChI=1S/C19H13F3N2O3S/c1-27-10-2-3-11-9(7-24(8-16(25)26)14(11)5-10)4-15-23-18-17(22)12(20)6-13(21)19(18)28-15/h2-3,5-7H,4,8H2,1H3,(H,25,26)
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n/an/a 5n/an/an/an/a6.637



The Institute for Diabetes Discovery



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...


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


(Homo sapiens (Human))
BDBM16469
PNG
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
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n/an/a 5n/an/an/an/a6.637



The Institute for Diabetes Discovery



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...


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


(Homo sapiens (Human))
BDBM16634
PNG
(6-{[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-]s...)
Show SMILES Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)
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n/an/a 5n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


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


(Homo sapiens (Human))
BDBM50006481
PNG
(CHEMBL73560 | [1-(5,7-Difluoro-benzothiazol-2-ylme...)
Show SMILES Cc1c(CC(O)=O)nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c1C
Show InChI InChI=1S/C16H13F2N3O3S/c1-7-8(2)16(24)21(20-11(7)5-14(22)23)6-13-19-12-4-9(17)3-10(18)15(12)25-13/h3-4H,5-6H2,1-2H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

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


(Homo sapiens (Human))
BDBM50009750
PNG
(CHEMBL282689 | [3-(4,7-Difluoro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-6-12(20)17-16(11)21-14(27-17)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM50009759
PNG
(CHEMBL20518 | [3-(5-Chloro-7-fluoro-benzothiazol-2...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11ClFN3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50010282
PNG
(2,7-difluorospiro[9H-fluorene-9,3'-(tetrahydro-1'H...)
Show SMILES Fc1ccc2-c3ccc(F)cc3C3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C16H9F2NO2/c17-8-1-3-10-11-4-2-9(18)6-13(11)16(12(10)5-8)7-14(20)19-15(16)21/h1-6H,7H2,(H,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL)


J Med Chem 34: 3229-34 (1991)

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


(Homo sapiens (Human))
BDBM50006471
PNG
(CHEMBL68580 | [4-Oxo-3-(5-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2CCCCc12
Show InChI InChI=1S/C19H16F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h5-7H,1-4,8-9H2,(H,26,27)
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50056538
PNG
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)
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n/an/a 5.70n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat lens aldose reductase(AR).


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


(Homo sapiens (Human))
BDBM50009774
PNG
(CHEMBL20161 | [3-(5,7-Dimethyl-benzothiazol-2-ylme...)
Show SMILES Cc1cc(C)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C20H17N3O3S/c1-11-7-12(2)19-16(8-11)21-17(27-19)10-23-20(26)14-6-4-3-5-13(14)15(22-23)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)
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n/an/a 5.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM16491
PNG
(2-{7-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c12
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-3-2-4-11-10(7-24(18(9)11)8-15(25)26)5-14-23-17-16(22)12(20)6-13(21)19(17)27-14/h2-4,6-7H,5,8H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/a6.637



The Institute for Diabetes Discovery



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...


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


(Homo sapiens (Human))
BDBM16239
PNG
(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


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


(Homo sapiens (Human))
BDBM16636
PNG
(6-[(5-chloro-3-ethyl-1-benzofuran-2-)sulfonyl]-2,3...)
Show SMILES CCc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-9-10-7-8(15)3-4-11(10)21-14(9)22(19,20)13-6-5-12(18)16-17-13/h3-7H,2H2,1H3,(H,16,18)
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PubMed
n/an/a 6n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


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


(Homo sapiens (Human))
BDBM50009749
PNG
(CHEMBL416001 | [3-(7-Chloro-5-fluoro-benzothiazol-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11ClFN3O3S/c19-12-5-9(20)6-14-17(12)27-15(21-14)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM50009757
PNG
(CHEMBL20637 | [3-(5,7-Difluoro-benzothiazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)

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


(Homo sapiens (Human))
BDBM50008441
PNG
(CHEMBL422647 | [4-Oxo-3-(3-o-tolyl-[1,2,4]oxadiazo...)
Show SMILES Cc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1
Show InChI InChI=1S/C20H16N4O4/c1-12-6-2-3-7-13(12)19-21-17(28-23-19)11-24-20(27)15-9-5-4-8-14(15)16(22-24)10-18(25)26/h2-9H,10-11H2,1H3,(H,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 457-65 (1992)

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


(Homo sapiens (Human))
BDBM50008480
PNG
(CHEMBL341864 | {3-[3-(2-Bromo-phenyl)-[1,2,4]oxadi...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Br)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 457-65 (1992)

More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289610
PNG
(CHEMBL44717 | [3-(4,5,7-Trifluoro-benzothiazol-2-y...)
Show SMILES OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-2-1-3-9(4-8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)
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Article
n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Citation and Details
More data for this
Ligand-Target Pair
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