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Compile Data Set for Download or QSAR

Found 2882 hits Enz. Inhib. hit(s) with Target = 'Aldose reductase'   
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


(Homo sapiens (Human))
BDBM50487374
PNG
(CHEMBL2260162)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2cccc(c2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C12H8N2O6S/c15-10(16)6-13-11(17)9(21-12(13)18)5-7-2-1-3-8(4-7)14(19)20/h1-5H,6H2,(H,15,16)/b9-5+
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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50487378
PNG
(CHEMBL2260155)
Show SMILES Oc1cccc(\C=C2\SC(=O)NC2=O)c1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-2-6(4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
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 0.170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50487380
PNG
(CHEMBL2260152)
Show SMILES COC(=O)CN1C(=O)S\C(=C\c2cccc(Oc3ccccc3)c2)C1=O
Show InChI InChI=1S/C19H15NO5S/c1-24-17(21)12-20-18(22)16(26-19(20)23)11-13-6-5-9-15(10-13)25-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11+
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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50334178
PNG
(5-(3-phenoxybenzylidene)thiazolidine-2,4-dione | C...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b14-10-
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n/an/a 0.280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 0.420n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50487381
PNG
(CHEMBL2260158)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C12H9NO5S/c14-8-3-1-7(2-4-8)5-9-11(17)13(6-10(15)16)12(18)19-9/h1-5,14H,6H2,(H,15,16)/b9-5+
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n/an/a 0.490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50487379
PNG
(CHEMBL2260153)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C18H13NO4S/c20-16(21)11-19-17(22)15(24-18(19)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10+
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n/an/a 0.660n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50487373
PNG
(CHEMBL2260163)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2ccc(cc2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C12H8N2O6S/c15-10(16)6-13-11(17)9(21-12(13)18)5-7-1-3-8(4-2-7)14(19)20/h1-5H,6H2,(H,15,16)/b9-5+
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n/an/a 0.820n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc



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



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Bioorg Med Chem 15: 7865-77 (2007)


Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6
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



Pfizer Inc



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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 1n/an/an/an/a7.0n/a



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



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


ACS Chem Biol 11: 2693-2705 (2016)


Article DOI: 10.1021/acschembio.6b00382
BindingDB Entry DOI: 10.7270/Q2NG4PFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Homo sapiens (Human))
BDBM50487371
PNG
(CHEMBL2260159)
Show SMILES OC(=O)\C=C\CN1C(=O)S\C(=C\c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C14H11NO5S/c16-10-5-3-9(4-6-10)8-11-13(19)15(14(20)21-11)7-1-2-12(17)18/h1-6,8,16H,7H2,(H,17,18)/b2-1+,11-8+
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(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 1.20n/an/an/an/a7.0n/a



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



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


ACS Chem Biol 11: 2693-2705 (2016)


Article DOI: 10.1021/acschembio.6b00382
BindingDB Entry DOI: 10.7270/Q2NG4PFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Homo sapiens (Human))
BDBM50008489
PNG
((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)
Show SMILES OC(=O)Cc1nn(Cc2cc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14N2O3S/c22-18(23)10-16-14-6-2-3-7-15(14)19(24)21(20-16)11-13-9-12-5-1-4-8-17(12)25-13/h1-9H,10-11H2,(H,22,23)
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n/an/a 1.20n/an/an/an/an/an/a



Jain University

Curated by ChEMBL


Assay Description
Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPH


Eur J Med Chem 138: 1002-1033 (2017)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50487936
PNG
(CHEBI:48480 | CHEMBL2261578)
Show SMILES COC(=O)c1cc2cc3cc4cc(CC(O)=O)c(C(=O)\C=C(/O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1
Show InChI InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase


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


(Homo sapiens (Human))
BDBM50487375
PNG
(CHEMBL2260161)
Show SMILES COC(=O)CN1C(=O)S\C(=C\c2cccc(N)c2)C1=O
Show InChI InChI=1S/C13H12N2O4S/c1-19-11(16)7-15-12(17)10(20-13(15)18)6-8-3-2-4-9(14)5-8/h2-6H,7,14H2,1H3/b10-6+
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


(Homo sapiens (Human))
BDBM50008435
PNG
((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13FN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Jain University

Curated by ChEMBL


Assay Description
Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPH


Eur J Med Chem 138: 1002-1033 (2017)

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 1.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 2n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


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


J Med Chem 34: 3229-34 (1991)


Article DOI: 10.1021/jm00115a011
BindingDB Entry DOI: 10.7270/Q2QJ7HXM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase


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



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase enzyme


J Med Chem 46: 417-26 (2003)


Article DOI: 10.1021/jm0209477
BindingDB Entry DOI: 10.7270/Q2PG1SGT
More data for this
Ligand-Target Pair
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



Pfizer Inc



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))
BDBM16313
PNG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
Show SMILES OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
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n/an/a 3n/an/an/an/a7.0n/a



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



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


ACS Chem Biol 11: 2693-2705 (2016)


Article DOI: 10.1021/acschembio.6b00382
BindingDB Entry DOI: 10.7270/Q2NG4PFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Bioorg Med Chem 15: 7865-77 (2007)


Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase enzyme


J Med Chem 46: 417-26 (2003)


Article DOI: 10.1021/jm0209477
BindingDB Entry DOI: 10.7270/Q2PG1SGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


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



Jain University

Curated by ChEMBL


Assay Description
Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPH


Eur J Med Chem 138: 1002-1033 (2017)

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


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glucose.


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 35: 457-65 (1992)


Article DOI: 10.1021/jm00081a006
BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 35: 457-65 (1992)


Article DOI: 10.1021/jm00081a006
BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006475
PNG
(CHEMBL71966 | {1-[3-(2,3-Difluoro-phenyl)-[1,2,4]o...)
Show SMILES Cc1c(C)c(=O)n(Cc2nc(no2)-c2cccc(F)c2F)nc1CC(O)=O
Show InChI InChI=1S/C17H14F2N4O4/c1-8-9(2)17(26)23(21-12(8)6-14(24)25)7-13-20-16(22-27-13)10-4-3-5-11(18)15(10)19/h3-5H,6-7H2,1-2H3,(H,24,25)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50241828
PNG
(CHEMBL4089817)
Show SMILES Oc1ccc2cc(C(=O)NCCCc3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23)
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n/an/a 3.5n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate


J Med Chem 60: 8441-8455 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00830
BindingDB Entry DOI: 10.7270/Q2NZ89S7
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc



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


(Rattus norvegicus)
BDBM50487916
PNG
(CHEMBL2261575)
Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccccc1
Show InChI InChI=1S/C21H16O7/c22-12-8-13-18(14(23)9-12)15(24)10-16-19(13)20(11-4-2-1-3-5-11)21(27,28-16)7-6-17(25)26/h1-5,8-10,22-23,27H,6-7H2,(H,25,26)
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50241817
PNG
(CHEMBL4081954)
Show SMILES Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1
Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)
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n/an/a 4.20n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate


J Med Chem 60: 8441-8455 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00830
BindingDB Entry DOI: 10.7270/Q2NZ89S7
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50487377
PNG
(CHEMBL2260156)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2cccc(O)c2)C1=O
Show InChI InChI=1S/C12H9NO5S/c14-8-3-1-2-7(4-8)5-9-11(17)13(6-10(15)16)12(18)19-9/h1-5,14H,6H2,(H,15,16)/b9-5+
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of aldose reductase (unknown origin)


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


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



National Eye Institute

Curated by ChEMBL


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


J Med Chem 37: 787-92 (1994)


Article DOI: 10.1021/jm00032a011
BindingDB Entry DOI: 10.7270/Q2G73FCT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442489
PNG
(CHEMBL2440417)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-
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n/an/a 4.70n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of AKR1B10 (unknown origin)


J Med Chem 60: 8441-8455 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00830
BindingDB Entry DOI: 10.7270/Q2NZ89S7
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442489
PNG
(CHEMBL2440417)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-
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n/an/a 4.70n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Bioorg Med Chem 21: 6378-84 (2013)


Article DOI: 10.1016/j.bmc.2013.08.059
BindingDB Entry DOI: 10.7270/Q25T3MX4
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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