Compile Data Set for Download or QSAR

Found 20 hits with Target = 'aldose reductase (ar)'   

CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16235BDBM16235(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
ITC DataΔG°: -31.3kJ/mole −TΔS°: -22.6kJ/mole ΔH°: -8.70kJ/mole logk: 3.10E+5
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16238BDBM16238(IDD388 | {2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-...)
ITC DataΔG°: -42.7kJ/mole −TΔS°: 19.4kJ/mole ΔH°: -62.1kJ/mole logk: 3.15E+7
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16239BDBM16239(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
ITC DataΔG°: -42.2kJ/mole −TΔS°: 36.9kJ/mole ΔH°: -79.1kJ/mole logk: 2.50E+7
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16312BDBM16312(CHEMBL266497 | (4S)-6-fluoro-2,3-dihydrospiro[1-be...)
ITC DataΔG°: -37.9kJ/mole logk: 4.50E+6
T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16313BDBM16313(IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...)
ITC DataΔG°: -40.9kJ/mole logk: 1.49E+7
T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16314BDBM16314(N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...)
ITC DataΔG°: -38kJ/mole logk: 4.60E+6
T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16315BDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
ITC DataΔG°: -34.5kJ/mole logk: 1.10E+6
T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16512BDBM16512((2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chrome...)
ITC DataΔG°: -46.7kJ/mole −TΔS°: 28.8kJ/mole ΔH°: -75.5kJ/mole logk: 1.53E+8
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16312BDBM16312(CHEMBL266497 | (4S)-6-fluoro-2,3-dihydrospiro[1-be...)
ITC DataΔG°: -37.9kJ/mole −TΔS°: 13.9kJ/mole ΔH°: -51.8kJ/mole logk: 4.50E+6
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 16233BDBM16233(Ligand 1 | 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-...)
ITC DataΔG°: -35.4kJ/mole −TΔS°: -9.80kJ/mole ΔH°: -25.6kJ/mole logk: 1.65E+6
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228821BDBM228821(ALR2 inhibitor, 8)
ITC DataΔG°: -44.3kJ/mole −TΔS°: -21.3kJ/mole ΔH°: -65.6kJ/mole logk: 5.56E+10
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228822BDBM228822(ALR2 inhibitor, 11)
ITC DataΔG°: -43.5kJ/mole −TΔS°: -12.3kJ/mole ΔH°: -55.8kJ/mole logk: 4.17E+10
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228825BDBM228825(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
ITC DataΔG°: -41.5kJ/mole −TΔS°: -12.5kJ/mole ΔH°: -54kJ/mole logk: 1.85E+10
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228825BDBM228825(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
ITC DataΔG°: -41.7kJ/mole −TΔS°: -8.94kJ/mole ΔH°: -50.6kJ/mole
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228824BDBM228824(2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...)
ITC DataΔG°: -31.5kJ/mole −TΔS°: -14.7kJ/mole ΔH°: -46.2kJ/mole logk: 3.57E+8
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228823BDBM228823(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
ITC DataΔG°: -29.4kJ/mole −TΔS°: -9.54kJ/mole ΔH°: -39kJ/mole logk: 1.39E+8
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228826BDBM228826(3-((2-(Carboxymethoxy)-4-fluorobenzamido)methyl)be...)
ITC DataΔG°: -25.4kJ/mole −TΔS°: -11.0kJ/mole ΔH°: -36.4kJ/mole logk: 2.76E+7
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228823BDBM228823(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
ITC DataΔG°: -29.6kJ/mole −TΔS°: -5.66kJ/mole ΔH°: -35.4kJ/mole logk: 1.52E+8
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228820BDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -28.8kJ/mole −TΔS°: -1.79kJ/mole ΔH°: -30.6kJ/mole logk: 1.10E+8
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
CellAldose reductase (AR)(Human)
University of Marburg

SyringeChemical structure of BindingDB Monomer ID 228820BDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -29.3kJ/mole −TΔS°: -0.596kJ/mole ΔH°: -29.9kJ/mole logk: 1.33E+8
pH: 8.0 T: 24.85°C 
In DepthDetails Article
PubMed
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