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33 similar compounds to monomer 16469

Compile data set for download or QSAR
Wt: 340.3
BDBM16463
Wt: 340.3
BDBM16464
Wt: 340.3
BDBM16465
Wt: 340.3
BDBM16466
Wt: 358.3
BDBM16467
Wt: 358.3
BDBM16468
Wt: 390.3
BDBM16470
Wt: 410.7
BDBM16472
Wt: 410.7
BDBM16473
Wt: 394.3
BDBM16474
Wt: 455.2
BDBM16475
Wt: 390.3
BDBM16476
Wt: 406.3
BDBM16477
Wt: 482.4
BDBM16478
Wt: 468.4
BDBM16479
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 16463,16464,16465,16466,16467,16468,16470,16472,16473,16474,16475,16476,16477,16478,16479   
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
Aldehyde reductase


(Homo sapiens (human))
BDBM16479
PNG
(2-{5-phenoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O3S/c25-17-10-18(26)24-23(22(17)27)28-20(33-24)8-13-11-29(12-21(30)31)19-7-6-15(9-16(13)19)32-14-4-2-1-3-5-14/h1-7,9-11H,8,12H2,(H,30,31)
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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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16465
PNG
(2-{3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-12-5-6-14-16(8-12)24-17(20-14)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 1.00E+3n/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))
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))
BDBM16470
PNG
(2-{2-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-11(10-4-2-3-5-14(10)24(9)8-16(25)26)6-15-23-18-17(22)12(20)7-13(21)19(18)27-15/h2-5,7H,6,8H2,1H3,(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))
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))
BDBM16475
PNG
(2-{5-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12
Show InChI InChI=1S/C18H10BrF3N2O2S/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 13n/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))
BDBM16478
PNG
(2-[5-(benzyloxy)-3-[(4,5,7-trifluoro-1,3-benzothia...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C25H17F3N2O3S/c26-18-10-19(27)25-24(23(18)28)29-21(34-25)8-15-11-30(12-22(31)32)20-7-6-16(9-17(15)20)33-13-14-4-2-1-3-5-14/h1-7,9-11H,8,12-13H2,(H,31,32)
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n/an/a 12n/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))
BDBM16479
PNG
(2-{5-phenoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O3S/c25-17-10-18(26)24-23(22(17)27)28-20(33-24)8-13-11-29(12-21(30)31)19-7-6-15(9-16(13)19)32-14-4-2-1-3-5-14/h1-7,9-11H,8,12H2,(H,30,31)
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n/an/a 30n/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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PubMed
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))
BDBM16465
PNG
(2-{3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-12-5-6-14-16(8-12)24-17(20-14)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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PubMed
n/an/a 4.50E+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))
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))
BDBM16470
PNG
(2-{2-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C19H13F3N2O2S/c1-9-11(10-4-2-3-5-14(10)24(9)8-16(25)26)6-15-23-18-17(22)12(20)7-13(21)19(18)27-15/h2-5,7H,6,8H2,1H3,(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
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))
BDBM16475
PNG
(2-{5-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12
Show InChI InChI=1S/C18H10BrF3N2O2S/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 4.70E+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))
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))
BDBM16478
PNG
(2-[5-(benzyloxy)-3-[(4,5,7-trifluoro-1,3-benzothia...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C25H17F3N2O3S/c26-18-10-19(27)25-24(23(18)28)29-21(34-25)8-15-11-30(12-22(31)32)20-7-6-16(9-17(15)20)33-13-14-4-2-1-3-5-14/h1-7,9-11H,8,12-13H2,(H,31,32)
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n/an/a 4.80E+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
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