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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'del corso' and Initial = 'a'   
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
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506669
PNG
(CHEMBL4459307)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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6.20n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506667
PNG
(CHEMBL4448571)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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16n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506669
PNG
(CHEMBL4459307)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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>300n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506667
PNG
(CHEMBL4448571)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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>500n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506663
PNG
(CHEMBL4483785)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-
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7.60E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation c...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506669
PNG
(CHEMBL4459307)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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1.20E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506669
PNG
(CHEMBL4459307)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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1.20E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506667
PNG
(CHEMBL4448571)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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1.31E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506667
PNG
(CHEMBL4448571)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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1.31E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50506663
PNG
(CHEMBL4483785)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-
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4.06E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation c...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334180
PNG
(2-(4-oxo-5-(3-phenoxybenzylidene)-2-thioxothiazoli...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-5-4-8-14(9-12)23-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 25n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506665
PNG
(CHEMBL4554837)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C20H17NO5S2/c1-25-16-9-14(7-8-15(16)26-12-13-5-3-2-4-6-13)10-17-19(24)21(11-18(22)23)20(27)28-17/h2-10H,11-12H2,1H3,(H,22,23)/b17-10-
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n/an/a 40n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50149769
PNG
((Z)-2-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-13-6-8-15(9-7-13)24-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,22)/b16-10-
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n/an/a 52n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50149743
PNG
((Z)-2-(5-(3-(benzyloxy)benzylidene)-4-oxo-2-thioxo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)/b16-10-
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n/an/a 53n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506669
PNG
(CHEMBL4459307)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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n/an/a 56n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334181
PNG
(2-(4-oxo-5-(4-phenoxybenzylidene)-2-thioxothiazoli...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 60n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50016233
PNG
(CHEMBL3262475)
Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 64n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50334175
PNG
(2-(2,4-dioxo-5-(4-phenoxybenzylidene)thiazolidin-3...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 70n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334182
PNG
(2-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazoli...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C13H11NO4S2/c1-18-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(19)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
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n/an/a 78n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(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 96n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 102n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506664
PNG
(CHEMBL4436037)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-6-8-16(9-7-15)25-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,23)/b17-12-
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n/an/a 104n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50334181
PNG
(2-(4-oxo-5-(4-phenoxybenzylidene)-2-thioxothiazoli...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 110n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016230
PNG
(CHEMBL3262478)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-10-4-8(2-3-9(10)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 110n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506668
PNG
(CHEMBL1384494)
Show SMILES OC(=O)CN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C14H11NO3S2/c16-12(17)9-15-13(18)11(20-14(15)19)8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)/b7-4+,11-8-
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n/an/a 125n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016232
PNG
(CHEMBL3262476)
Show SMILES NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016233
PNG
(CHEMBL3262475)
Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334174
PNG
(2-(2,4-dioxo-5-(3-phenoxybenzylidene)thiazolidin-3...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
Show InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016231
PNG
(CHEMBL3262477)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-9-3-2-8(4-10(9)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50149743
PNG
((Z)-2-(5-(3-(benzyloxy)benzylidene)-4-oxo-2-thioxo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)/b16-10-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50016231
PNG
(CHEMBL3262477)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-9-3-2-8(4-10(9)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 139n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50334182
PNG
(2-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazoli...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C13H11NO4S2/c1-18-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(19)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
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n/an/a 150n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 170n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 170n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50149769
PNG
((Z)-2-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-13-6-8-15(9-7-13)24-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,22)/b16-10-
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n/an/a 190n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50016232
PNG
(CHEMBL3262476)
Show SMILES NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 194n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50016230
PNG
(CHEMBL3262478)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-10-4-8(2-3-9(10)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 228n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50346849
PNG
(CHEMBL1796882)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1
Show InChI InChI=1S/C21H17NO5S/c1-27-17-10-8-15(9-11-17)3-2-14-4-6-16(7-5-14)12-18-20(25)22(13-19(23)24)21(26)28-18/h2-12H,13H2,1H3,(H,23,24)/b3-2+,18-12-
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n/an/a 250n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50346847
PNG
(CHEMBL1796755)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(\C=C\c3ccccc3)cc2)C1=O
Show InChI InChI=1S/C20H15NO4S/c22-18(23)13-21-19(24)17(26-20(21)25)12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)/b7-6+,17-12-
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506667
PNG
(CHEMBL4448571)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-
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n/an/a 276n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334176
PNG
(2-(5-(4-(benzyloxy)benzylidene)-2,4-dioxothiazolid...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C19H15NO5S/c21-17(22)11-20-18(23)16(26-19(20)24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,22)/b16-10-
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n/an/a 280n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50346854
PNG
(CHEMBL1796887)
Show SMILES OC(=O)CN1C(=O)S\C(=C/C=C/c2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H10F3NO4S/c16-15(17,18)10-6-4-9(5-7-10)2-1-3-11-13(22)19(8-12(20)21)14(23)24-11/h1-7H,8H2,(H,20,21)/b2-1+,11-3-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506666
PNG
(CHEMBL4455326)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C20H17NO6S/c1-26-16-9-14(7-8-15(16)27-12-13-5-3-2-4-6-13)10-17-19(24)21(11-18(22)23)20(25)28-17/h2-10H,11-12H2,1H3,(H,22,23)/b17-10-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50346848
PNG
(CHEMBL1796881)
Show SMILES Cc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1
Show InChI InChI=1S/C21H17NO4S/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-18-20(25)22(13-19(23)24)21(26)27-18/h2-12H,13H2,1H3,(H,23,24)/b7-6+,18-12-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens ALR2


Eur J Med Chem 46: 2797-806 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.068
BindingDB Entry DOI: 10.7270/Q2CF9QFF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50506662
PNG
(CHEMBL4483615)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-6-8-16(9-7-15)26-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,23)/b17-12-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50284960
PNG
(CHEMBL50626 | H3VO4 | Vanadiumsaeure | [VO(OH)3] |...)
Show SMILES O[V](O)(O)=O
Show InChI InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3
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n/an/a 400n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate


Bioorg Med Chem Lett 28: 3712-3720 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.024
BindingDB Entry DOI: 10.7270/Q2QJ7MKC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50334180
PNG
(2-(4-oxo-5-(3-phenoxybenzylidene)-2-thioxothiazoli...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-5-4-8-14(9-12)23-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 410n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50334177
PNG
(2-(5-(3-methoxybenzylidene)-2,4-dioxothiazolidin-3...)
Show SMILES COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C13H11NO5S/c1-19-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
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n/an/a 480n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016234
PNG
(CHEMBL3262474)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O7S/c1-23-10-4-8(2-3-9(10)24-7-12(16)18)5-11-14(21)17(6-13(19)20)15(22)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH


Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
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