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Compile Data Set for Download or QSAR

Found 77 hits of Enz. Inhib. data with enzyme = 'Aldose reductase (AR)' and Substrate = 'BDBM16443'   
Target/Host
(Institution)
LigandTarget/Host
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 (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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
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/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
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/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
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



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
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/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
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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n/an/a 6n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16635
PNG
(6-[(3,5-dimethyl-1-benzofuran-2-)sulfonyl]-2,3-dih...)
Show SMILES Cc1c(oc2ccc(C)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H12N2O4S/c1-8-3-4-11-10(7-8)9(2)14(20-11)21(18,19)13-6-5-12(17)15-16-13/h3-7H,1-2H3,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16638
PNG
(6-(3-Phenylbenzofuran-2-sulfonyl)-2H-pyridazin-3-o...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1oc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C18H12N2O4S/c21-15-10-11-16(20-19-15)25(22,23)18-17(12-6-2-1-3-7-12)13-8-4-5-9-14(13)24-18/h1-11H,(H,19,21)
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n/an/a 23n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16457
PNG
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)
Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)
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n/an/a 25n/an/an/an/a7.024



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16457
PNG
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)
Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)
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n/an/a 25n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16620
PNG
(6-{[(2-chloro-6-fluorophenyl)methane]sulfonyl}-2,3...)
Show SMILES Fc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C11H8ClFN2O3S/c12-8-2-1-3-9(13)7(8)6-19(17,18)11-5-4-10(16)14-15-11/h1-5H,6H2,(H,14,16)
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n/an/a 26n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16640
PNG
(6-[(5-chloro-3-phenyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Clc1ccc2oc(c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H11ClN2O4S/c19-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)18(25-14)26(23,24)16-9-8-15(22)20-21-16/h1-10H,(H,20,22)
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n/an/a 34n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16616
PNG
(6-{[(2,3-dichlorophenyl)methane]sulfonyl}-2,3-dihy...)
Show SMILES Clc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1Cl
Show InChI InChI=1S/C11H8Cl2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)
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n/an/a 35n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16622
PNG
(6-({[2-fluoro-3-(trifluoromethyl)phenyl]methane}su...)
Show SMILES Fc1c(CS(=O)(=O)c2ccc(=O)[nH]n2)cccc1C(F)(F)F
Show InChI InChI=1S/C12H8F4N2O3S/c13-11-7(2-1-3-8(11)12(14,15)16)6-22(20,21)10-5-4-9(19)17-18-10/h1-5H,6H2,(H,17,19)
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n/an/a 44n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16639
PNG
(6-{[3-(4-fluorophenyl)-1-benzofuran-2-]sulfonyl}-2...)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H11FN2O4S/c19-12-7-5-11(6-8-12)17-13-3-1-2-4-14(13)25-18(17)26(23,24)16-10-9-15(22)20-21-16/h1-10H,(H,20,22)
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n/an/a 49n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16604
PNG
(6-[(2,6-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1cccc(Cl)c1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-2-1-3-7(12)10(6)18(16,17)9-5-4-8(15)13-14-9/h1-5H,(H,13,15)
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n/an/a 50n/an/an/an/a7.024



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16617
PNG
(6-{[(2,6-dichlorophenyl)methane]sulfonyl}-2,3-dihy...)
Show SMILES Clc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C11H8Cl2N2O3S/c12-8-2-1-3-9(13)7(8)6-19(17,18)11-5-4-10(16)14-15-11/h1-5H,6H2,(H,14,16)
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n/an/a 52n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16621
PNG
(6-{[(3-chloro-2-fluorophenyl)methane]sulfonyl}-2,3...)
Show SMILES Fc1c(Cl)cccc1CS(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C11H8ClFN2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)
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n/an/a 54n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16602
PNG
(6-[(2,3-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-2-1-3-7(10(6)12)18(16,17)9-5-4-8(15)13-14-9/h1-5H,(H,13,15)
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n/an/a 55n/an/an/an/a7.024



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16642
PNG
(6-[(5-chloro-3-methyl-1-benzothiophene-2-)sulfonyl...)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O3S2/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 55n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16615
PNG
(6-({[3-(trifluoromethyl)phenyl]methane}sulfonyl)-2...)
Show SMILES FC(F)(F)c1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1
Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)9-3-1-2-8(6-9)7-21(19,20)11-5-4-10(18)16-17-11/h1-6H,7H2,(H,16,18)
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n/an/a 72n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16603
PNG
(6-[(2,5-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-7(12)8(5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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n/an/a 73n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16631
PNG
(6-[(5,7-dichloro-1-benzofuran-2-)sulfonyl]-2,3-dih...)
Show SMILES Clc1cc(Cl)c2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H6Cl2N2O4S/c13-7-3-6-4-11(20-12(6)8(14)5-7)21(18,19)10-2-1-9(17)15-16-10/h1-5H,(H,15,17)
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n/an/a 87n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16637
PNG
(6-{[5-chloro-3-(propan-2-yl)-1-benzofuran-2-]sulfo...)
Show SMILES CC(C)c1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C15H13ClN2O4S/c1-8(2)14-10-7-9(16)3-4-11(10)22-15(14)23(20,21)13-6-5-12(19)17-18-13/h3-8H,1-2H3,(H,17,19)
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n/an/a 92n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16612
PNG
(6-{[(2-chlorophenyl)methane]sulfonyl}-2,3-dihydrop...)
Show SMILES Clc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C11H9ClN2O3S/c12-9-4-2-1-3-8(9)7-18(16,17)11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)
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n/an/a 118n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16629
PNG
(6-(3-Methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-o...)
Show SMILES Cc1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H10N2O4S/c1-8-9-4-2-3-5-10(9)19-13(8)20(17,18)12-7-6-11(16)14-15-12/h2-7H,1H3,(H,14,16)
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n/an/a 140n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16451
PNG
(6-[(4-bromo-2-fluorobenzene)sulfonyl]-2,3-dihydrop...)
Show SMILES Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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n/an/a 140n/an/an/an/a7.024



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 140n/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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16451
PNG
(6-[(4-bromo-2-fluorobenzene)sulfonyl]-2,3-dihydrop...)
Show SMILES Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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n/an/a 140n/an/an/an/a7.024



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16609
PNG
(6-(alpha-Naphthylmethylbenzenesulfonyl)-2H-pyridaz...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1cccc2ccccc12
Show InChI InChI=1S/C21H16N2O3S/c24-20-12-13-21(23-22-20)27(25,26)19-11-4-2-7-17(19)14-16-9-5-8-15-6-1-3-10-18(15)16/h1-13H,14H2,(H,22,24)
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n/an/a 150n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16455
PNG
(6-(1-benzothiophene-2-sulfonyl)-2,3-dihydropyridaz...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C12H8N2O3S2/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
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n/an/a 150n/an/an/an/a7.024



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16456
PNG
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
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n/an/a 150n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16456
PNG
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
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n/an/a 150n/an/an/an/a7.024



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16641
PNG
(6-[(5-methyl-1-benzothiophene-2-)sulfonyl]-2,3-dih...)
Show SMILES Cc1ccc2sc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H10N2O3S2/c1-8-2-3-10-9(6-8)7-13(19-10)20(17,18)12-5-4-11(16)14-15-12/h2-7H,1H3,(H,14,16)
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n/an/a 160n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16444
PNG
(6-[(2-chlorobenzene)sulfonyl]-2,3-dihydropyridazin...)
Show SMILES Clc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-4-8(7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
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n/an/a 170n/an/an/an/a7.024



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16444
PNG
(6-[(2-chlorobenzene)sulfonyl]-2,3-dihydropyridazin...)
Show SMILES Clc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-4-8(7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
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n/an/a 170n/an/an/an/a7.024



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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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16607
PNG
(6-{[3-(trifluoromethyl)benzene]sulfonyl}-2,3-dihyd...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C11H7F3N2O3S/c12-11(13,14)7-2-1-3-8(6-7)20(18,19)10-5-4-9(17)15-16-10/h1-6H,(H,15,17)
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n/an/a 175n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16455
PNG
(6-(1-benzothiophene-2-sulfonyl)-2,3-dihydropyridaz...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C12H8N2O3S2/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
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n/an/a 180n/an/an/an/an/an/a



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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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16449
PNG
(6-[(2,4-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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n/an/a 190n/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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16449
PNG
(6-[(2,4-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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n/an/a 190n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16632
PNG
(6-[(6-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2cc(Cl)ccc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-3-2-8(14)6-10(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 190n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16628
PNG
(6-[(5,7-dichloro-1H-indole-2-)sulfonyl]-2,3-dihydr...)
Show SMILES Clc1cc(Cl)c2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7Cl2N3O3S/c13-7-3-6-4-11(15-12(6)8(14)5-7)21(19,20)10-2-1-9(18)16-17-10/h1-5,15H,(H,16,18)
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n/an/a 200n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16445
PNG
(6-[(2-bromobenzene)sulfonyl]-2,3-dihydropyridazin-...)
Show SMILES Brc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7BrN2O3S/c11-7-3-1-2-4-8(7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
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n/an/a 210n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16445
PNG
(6-[(2-bromobenzene)sulfonyl]-2,3-dihydropyridazin-...)
Show SMILES Brc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7BrN2O3S/c11-7-3-1-2-4-8(7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
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n/an/a 210n/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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16630
PNG
(6-[(5-methoxy-1-benzofuran-2-)sulfonyl]-2,3-dihydr...)
Show SMILES COc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H10N2O5S/c1-19-9-2-3-10-8(6-9)7-13(20-10)21(17,18)12-5-4-11(16)14-15-12/h2-7H,1H3,(H,14,16)
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n/an/a 230n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16598
PNG
(6-[(3-chlorobenzene)sulfonyl]-2,3-dihydropyridazin...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7ClN2O3S/c11-7-2-1-3-8(6-7)17(15,16)10-5-4-9(14)12-13-10/h1-6H,(H,12,14)
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n/an/a 240n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16618
PNG
(6-{[(2,3-difluorophenyl)methane]sulfonyl}-2,3-dihy...)
Show SMILES Fc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1F
Show InChI InChI=1S/C11H8F2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)
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PubMed
n/an/a 257n/an/an/an/an/an/a



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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16450
PNG
(6-[(2-chloro-4-fluorobenzene)sulfonyl]-2,3-dihydro...)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6ClFN2O3S/c11-7-5-6(12)1-2-8(7)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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PubMed
n/an/a 280n/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 ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16450
PNG
(6-[(2-chloro-4-fluorobenzene)sulfonyl]-2,3-dihydro...)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6ClFN2O3S/c11-7-5-6(12)1-2-8(7)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
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PubMed
n/an/a 280n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16597
PNG
(6-[(4-bromobenzene)sulfonyl]-2,3-dihydropyridazin-...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H7BrN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
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Article
PubMed
n/an/a 350n/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 ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
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