Compile Data Set for Download or QSAR
maximum 50k data

Found 20 hits with non-zero delta_G for polymer = 8450   

CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: 4.63kcal/mole ΔH°: -14.8kcal/mole logk: 3.15E+7
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228822(ALR2 inhibitor, 11)
ITC DataΔG°: -10.4kcal/mole −TΔS°: -2.94kcal/mole ΔH°: -13.3kcal/mole logk: 4.17E+10
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16239(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
ITC DataΔG°: -10.1kcal/mole −TΔS°: 8.81kcal/mole ΔH°: -18.9kcal/mole logk: 2.50E+7
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16235(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
ITC DataΔG°: -7.48kcal/mole −TΔS°: -5.40kcal/mole ΔH°: -2.08kcal/mole logk: 3.10E+5
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228821(ALR2 inhibitor, 8)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -5.09kcal/mole ΔH°: -15.7kcal/mole logk: 5.56E+10
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228825(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
ITC DataΔG°: -9.96kcal/mole −TΔS°: -2.14kcal/mole ΔH°: -12.1kcal/mole
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228826(3-((2-(Carboxymethoxy)-4-fluorobenzamido)methyl)be...)
ITC DataΔG°: -6.07kcal/mole −TΔS°: -2.63kcal/mole ΔH°: -8.69kcal/mole logk: 2.76E+7
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16512((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
ITC DataΔG°: -11.2kcal/mole −TΔS°: 6.88kcal/mole ΔH°: -18.0kcal/mole logk: 1.53E+8
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
ITC DataΔG°: -9.05kcal/mole −TΔS°: 3.32kcal/mole ΔH°: -12.4kcal/mole logk: 4.50E+6
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16233(4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic...)
ITC DataΔG°: -8.46kcal/mole −TΔS°: -2.34kcal/mole ΔH°: -6.11kcal/mole logk: 1.65E+6
pH: 8.0 T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228823(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
ITC DataΔG°: -7.07kcal/mole −TΔS°: -1.35kcal/mole ΔH°: -8.46kcal/mole logk: 1.52E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228824(2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...)
ITC DataΔG°: -7.52kcal/mole −TΔS°: -3.51kcal/mole ΔH°: -11.0kcal/mole logk: 3.57E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -7.00kcal/mole −TΔS°: -0.142kcal/mole ΔH°: -7.14kcal/mole logk: 1.33E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228825(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
ITC DataΔG°: -9.91kcal/mole −TΔS°: -2.98kcal/mole ΔH°: -12.9kcal/mole logk: 1.85E+10
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228823(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
ITC DataΔG°: -7.02kcal/mole −TΔS°: -2.28kcal/mole ΔH°: -9.31kcal/mole logk: 1.39E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM228820(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
ITC DataΔG°: -6.88kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -7.31kcal/mole logk: 1.10E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
ITC DataΔG°: -8.24kcal/mole logk: 1.10E+6
T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16314(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
ITC DataΔG°: -9.08kcal/mole logk: 4.60E+6
T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16313(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
ITC DataΔG°: -9.77kcal/mole logk: 1.49E+7
T: 24.85°C 
CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
ITC DataΔG°: -9.05kcal/mole logk: 4.50E+6
T: 24.85°C 
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