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24 similar compounds to monomer 16465

Compile data set for download or QSAR
Wt: 340.3
BDBM16463
Wt: 340.3
BDBM16464
Wt: 340.3
BDBM16466
Wt: 358.3
BDBM16467
Wt: 358.3
BDBM16468
Wt: 376.3
BDBM16469
Wt: 410.7
BDBM16472
Wt: 410.7
BDBM16473
Wt: 394.3
BDBM16474
Wt: 390.3
BDBM16476
Wt: 406.3
BDBM16477
Wt: 452.4
BDBM16480
Wt: 394.3
BDBM16482
Wt: 410.7
BDBM16483
Wt: 390.3
BDBM16484
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 16463,16464,16466,16467,16468,16469,16472,16473,16474,16476,16477,16480,16482,16483,16484   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16463
PNG
(2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-7-15-18(13)20-16(24-15)8-11-9-21(10-17(22)23)14-6-2-1-4-12(11)14/h1-7,9H,8,10H2,(H,22,23)
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n/an/a 34n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16469
PNG
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophotometry analysis


Bioorg Med Chem Lett 19: 2006-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.037
BindingDB Entry DOI: 10.7270/Q2W66M3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16466
PNG
(2-{3-[(7-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-6-14-18(13)24-16(20-14)8-11-9-21(10-17(22)23)15-7-2-1-4-12(11)15/h1-7,9H,8,10H2,(H,22,23)
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n/an/a 55n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16467
PNG
(2-{3-[(5,6-difluoro-1,3-benzothiazol-2-yl)methyl]-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H12F2N2O2S/c19-12-6-14-16(7-13(12)20)25-17(21-14)5-10-8-22(9-18(23)24)15-4-2-1-3-11(10)15/h1-4,6-8H,5,9H2,(H,23,24)
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n/an/a 560n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16468
PNG
(2-{3-[(4,6-difluoro-1,3-benzothiazol-2-yl)methyl]-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H12F2N2O2S/c19-11-6-13(20)18-15(7-11)25-16(21-18)5-10-8-22(9-17(23)24)14-4-2-1-3-12(10)14/h1-4,6-8H,5,9H2,(H,23,24)
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n/an/a 690n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16472
PNG
(2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-2-1-3-12-15(9)8(6-24(12)7-14(25)26)4-13-23-17-16(22)10(20)5-11(21)18(17)27-13/h1-3,5-6H,4,7H2,(H,25,26)
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n/an/a 11n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16473
PNG
(2-{5-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 10n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16474
PNG
(2-{5-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12
Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 11n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16476
PNG
(2-{5-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-14-11(4-9)10(7-24(14)8-16(25)26)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)
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n/an/a 8n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16477
PNG
(2-{5-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...)
Show SMILES COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
Show InChI InChI=1S/C19H13F3N2O3S/c1-27-10-2-3-14-11(5-10)9(7-24(14)8-16(25)26)4-15-23-18-17(22)12(20)6-13(21)19(18)28-15/h2-3,5-7H,4,8H2,1H3,(H,25,26)
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n/an/a 8n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16480
PNG
(2-{5-phenyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C24H15F3N2O2S/c25-17-10-18(26)24-23(22(17)27)28-20(32-24)9-15-11-29(12-21(30)31)19-7-6-14(8-16(15)19)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,30,31)
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n/an/a 53n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16482
PNG
(2-{6-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12
Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16483
PNG
(2-{6-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16484
PNG
(2-{6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-11-10(7-24(8-16(25)26)14(11)4-9)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16463
PNG
(2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-7-15-18(13)20-16(24-15)8-11-9-21(10-17(22)23)14-6-2-1-4-12(11)14/h1-7,9H,8,10H2,(H,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16464
PNG
(2-{3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-12-5-6-16-14(8-12)20-17(24-16)7-11-9-21(10-18(22)23)15-4-2-1-3-13(11)15/h1-6,8-9H,7,10H2,(H,22,23)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16466
PNG
(2-{3-[(7-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-6-14-18(13)24-16(20-14)8-11-9-21(10-17(22)23)15-7-2-1-4-12(11)15/h1-7,9H,8,10H2,(H,22,23)
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16467
PNG
(2-{3-[(5,6-difluoro-1,3-benzothiazol-2-yl)methyl]-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H12F2N2O2S/c19-12-6-14-16(7-13(12)20)25-17(21-14)5-10-8-22(9-18(23)24)15-4-2-1-3-11(10)15/h1-4,6-8H,5,9H2,(H,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16468
PNG
(2-{3-[(4,6-difluoro-1,3-benzothiazol-2-yl)methyl]-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H12F2N2O2S/c19-11-6-13(20)18-15(7-11)25-16(21-18)5-10-8-22(9-17(23)24)14-4-2-1-3-12(10)14/h1-4,6-8H,5,9H2,(H,23,24)
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n/an/a 5.10E+3n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16469
PNG
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16472
PNG
(2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-2-1-3-12-15(9)8(6-24(12)7-14(25)26)4-13-23-17-16(22)10(20)5-11(21)18(17)27-13/h1-3,5-6H,4,7H2,(H,25,26)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16473
PNG
(2-{5-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16474
PNG
(2-{5-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12
Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16476
PNG
(2-{5-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-14-11(4-9)10(7-24(14)8-16(25)26)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)
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n/an/a 3.40E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16477
PNG
(2-{5-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...)
Show SMILES COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
Show InChI InChI=1S/C19H13F3N2O3S/c1-27-10-2-3-14-11(5-10)9(7-24(14)8-16(25)26)4-15-23-18-17(22)12(20)6-13(21)19(18)28-15/h2-3,5-7H,4,8H2,1H3,(H,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16480
PNG
(2-{5-phenyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C24H15F3N2O2S/c25-17-10-18(26)24-23(22(17)27)28-20(32-24)9-15-11-29(12-21(30)31)19-7-6-14(8-16(15)19)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16482
PNG
(2-{6-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12
Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 7.50E+3n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16483
PNG
(2-{6-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (human))
BDBM16484
PNG
(2-{6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-11-10(7-24(8-16(25)26)14(11)4-9)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase


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



Slovak Academy of Sciences

Curated by ChEMBL


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


J Med Chem 58: 2649-57 (2015)


Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


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



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


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))
BDBM16464
PNG
(2-{3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-12-5-6-16-14(8-12)20-17(24-16)7-11-9-21(10-18(22)23)15-4-2-1-3-13(11)15/h1-6,8-9H,7,10H2,(H,22,23)
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n/an/a 9n/an/an/an/a6.637



The Institute for Diabetes Discovery



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


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair