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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50036249   
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 (ALR2)


(Bos taurus (Cattle))
BDBM50038843
PNG
((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038840
PNG
((4R)-2-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydr...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2[C@@]2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50038843
PNG
((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
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n/an/a 12.2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBC


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038843
PNG
((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038858
PNG
(2-(1,3-benzothiazol-2-ylmethyl)-1H,2'H,5'H-spiro[i...)
Show SMILES O=C1CC2(C(=O)N1)C(=O)N(Cc1nc3ccccc3s1)C(=O)c1ccccc21
Show InChI InChI=1S/C20H13N3O4S/c24-15-9-20(18(26)22-15)12-6-2-1-5-11(12)17(25)23(19(20)27)10-16-21-13-7-3-4-8-14(13)28-16/h1-8H,9-10H2,(H,22,24,26)
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n/an/a 15n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038851
PNG
(2-[3-(trifluoromethyl)benzyl]-1H,2'H,5'H-spiro[iso...)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1
Show InChI InChI=1S/C20H13F3N2O4/c21-20(22,23)12-5-3-4-11(8-12)10-25-16(27)13-6-1-2-7-14(13)19(18(25)29)9-15(26)24-17(19)28/h1-8H,9-10H2,(H,24,26,28)
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n/an/a 17n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038842
PNG
(2-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-1H,2'H,5'...)
Show SMILES Fc1ccc2C(=O)N(Cc3nc4ccccc4s3)C(=O)C3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C20H12FN3O4S/c21-10-5-6-11-12(7-10)20(8-15(25)23-18(20)27)19(28)24(17(11)26)9-16-22-13-3-1-2-4-14(13)29-16/h1-7H,8-9H2,(H,23,25,27)
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n/an/a 18n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50038839
PNG
(2-(4-bromo-2-fluorobenzyl)-1H,2'H,5'H-spiro[isoqui...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)
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n/an/a 19n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBC


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038844
PNG
(2-(4-bromo-2-fluorobenzyl)-7-fluoro-1H,2'H,5'H-spi...)
Show SMILES Fc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-6-11(21)3-4-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
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n/an/a 20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038856
PNG
(2-(4-bromo-2-fluorobenzyl)-5-fluoro-1H,2'H,5'H-spi...)
Show SMILES Fc1cccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c12
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-5-4-9(13(22)6-10)8-24-16(26)11-2-1-3-12(21)15(11)19(18(24)28)7-14(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
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n/an/a 21n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038838
PNG
(2-(3,4-dichlorobenzyl)-1H,2'H,5'H-spiro[isoquinoli...)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1Cl
Show InChI InChI=1S/C19H12Cl2N2O4/c20-13-6-5-10(7-14(13)21)9-23-16(25)11-3-1-2-4-12(11)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)
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n/an/a 22n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038852
PNG
(2-(4-bromobenzyl)-1H,2'H,5'H-spiro[isoquinoline-4,...)
Show SMILES Brc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C19H13BrN2O4/c20-12-7-5-11(6-8-12)10-22-16(24)13-3-1-2-4-14(13)19(18(22)26)9-15(23)21-17(19)25/h1-8H,9-10H2,(H,21,23,25)
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n/an/a 22n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038862
PNG
(2-(4-chlorobenzyl)-1H,2'H,5'H-spiro[isoquinoline-4...)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C19H13ClN2O4/c20-12-7-5-11(6-8-12)10-22-16(24)13-3-1-2-4-14(13)19(18(22)26)9-15(23)21-17(19)25/h1-8H,9-10H2,(H,21,23,25)
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n/an/a 22n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038853
PNG
(2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]meth...)
Show SMILES FC(F)(F)c1ccc2sc(CN3C(=O)c4ccccc4C4(CC(=O)NC4=O)C3=O)nc2c1
Show InChI InChI=1S/C21H12F3N3O4S/c22-21(23,24)10-5-6-14-13(7-10)25-16(32-14)9-27-17(29)11-3-1-2-4-12(11)20(19(27)31)8-15(28)26-18(20)30/h1-7H,8-9H2,(H,26,28,30)
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n/an/a 22n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038839
PNG
(2-(4-bromo-2-fluorobenzyl)-1H,2'H,5'H-spiro[isoqui...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038857
PNG
(2-(4-bromo-2-fluorobenzyl)-8-fluoro-1H,2'H,5'H-spi...)
Show SMILES Fc1cccc2c1C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-5-4-9(13(22)6-10)8-24-16(26)15-11(2-1-3-12(15)21)19(18(24)28)7-14(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
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 24n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBC


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038854
PNG
(2-(4-methoxybenzyl)-1H,2'H,5'H-spiro[isoquinoline-...)
Show SMILES COc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C20H16N2O5/c1-27-13-8-6-12(7-9-13)11-22-17(24)14-4-2-3-5-15(14)20(19(22)26)10-16(23)21-18(20)25/h2-9H,10-11H2,1H3,(H,21,23,25)
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n/an/a 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038861
PNG
(2-[4-(trifluoromethyl)benzyl]-1H,2'H,5'H-spiro[iso...)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C20H13F3N2O4/c21-20(22,23)12-7-5-11(6-8-12)10-25-16(27)13-3-1-2-4-14(13)19(18(25)29)9-15(26)24-17(19)28/h1-8H,9-10H2,(H,24,26,28)
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n/an/a 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038849
PNG
(2-(3-methylbenzyl)-1H,2'H,5'H-spiro[isoquinoline-4...)
Show SMILES Cc1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1
Show InChI InChI=1S/C20H16N2O4/c1-12-5-4-6-13(9-12)11-22-17(24)14-7-2-3-8-15(14)20(19(22)26)10-16(23)21-18(20)25/h2-9H,10-11H2,1H3,(H,21,23,25)
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n/an/a 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038846
PNG
(6-fluoro-2-(5-trifluoromethylbenzo[d][1,3]thiazol-...)
Show SMILES Fc1ccc2C(=O)N(Cc3nc4cc(ccc4s3)C(F)(F)F)C(=O)C3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C21H11F4N3O4S/c22-10-2-3-11-12(6-10)20(7-15(29)27-18(20)31)19(32)28(17(11)30)8-16-26-13-5-9(21(23,24)25)1-4-14(13)33-16/h1-6H,7-8H2,(H,27,29,31)
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n/an/a 26n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038863
PNG
(6-bromo-2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'...)
Show SMILES COc1cc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2cc1Br
Show InChI InChI=1S/C20H13Br2FN2O5/c1-30-15-5-11-12(6-13(15)22)20(7-16(26)24-18(20)28)19(29)25(17(11)27)8-9-2-3-10(21)4-14(9)23/h2-6H,7-8H2,1H3,(H,24,26,28)
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n/an/a 28n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038845
PNG
(2-(4-bromo-2-fluorobenzyl)-5-fluoro-6-methoxy-1H,2...)
Show SMILES COc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2c1F
Show InChI InChI=1S/C20H13BrF2N2O5/c1-30-13-5-4-11-15(16(13)23)20(7-14(26)24-18(20)28)19(29)25(17(11)27)8-9-2-3-10(21)6-12(9)22/h2-6H,7-8H2,1H3,(H,24,26,28)
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n/an/a 30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038841
PNG
(2-(4-bromo-2-fluorobenzyl)-6-chloro-1H,2'H,5'H-spi...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)cc2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H11BrClFN2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
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n/an/a 30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038859
PNG
((4S)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-2...)
Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@@]3(CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038848
PNG
(2-(4-bromo-2-fluorobenzyl)-7-chloro-1H,2'H,5'H-spi...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)ccc2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H11BrClFN2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-6-11(21)3-4-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038860
PNG
(2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'H,5'H-sp...)
Show SMILES COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
Show InChI InChI=1S/C20H14BrFN2O5/c1-29-12-4-5-14-13(7-12)17(26)24(9-10-2-3-11(21)6-15(10)22)19(28)20(14)8-16(25)23-18(20)27/h2-7H,8-9H2,1H3,(H,23,25,27)
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n/an/a 37n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038855
PNG
(2-(4-bromo-2-fluorobenzyl)-6-(trifluoromethyl)-1H,...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(cc2C2(CC(=O)NC2=O)C1=O)C(F)(F)F
Show InChI InChI=1S/C20H11BrF4N2O4/c21-11-3-1-9(14(22)6-11)8-27-16(29)12-4-2-10(20(23,24)25)5-13(12)19(18(27)31)7-15(28)26-17(19)30/h1-6H,7-8H2,(H,26,28,30)
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50038850
PNG
((4S)-2-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydr...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2[C@]2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)/t19-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation


J Med Chem 37: 2043-58 (1994)

Checked by Author
Article DOI: 10.1021/jm00039a017
BindingDB Entry DOI: 10.7270/Q2BR8STM
More data for this
Ligand-Target Pair