Compile Data Set for Download or QSAR
maximum 50k data

Found 27 hits with non-zero delta_G for polymer = 7572   

Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24425((3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carb...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: -5.09kcal/mole ΔH°: -5.19kcal/mole logk: 2.46E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24424((3R,5R)-7-[3-(benzylcarbamoyl)-2-(propan-2-yl)-1H,...)
ITC DataΔG°: -9.98kcal/mole −TΔS°: -3.10kcal/mole ΔH°: -6.89kcal/mole logk: 1.60E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24423((3R,5R)-3,5-dihydroxy-7-(3-{[(1S)-2-hydroxy-1-phen...)
ITC DataΔG°: -10.3kcal/mole −TΔS°: -2.69kcal/mole ΔH°: -7.59kcal/mole logk: 2.87E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24422((3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carb...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: -2.69kcal/mole ΔH°: -8.29kcal/mole logk: 7.87E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24435((3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(pr...)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -2.69kcal/mole ΔH°: -7.89kcal/mole logk: 4.63E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24419((3R,5R)-7-[2-(4-fluorophenyl)-4-({[3-(2-fluorophen...)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -1.69kcal/mole ΔH°: -8.89kcal/mole logk: 4.55E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24434((3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-methyl-5-[(3-...)
ITC DataΔG°: -11.8kcal/mole −TΔS°: -0.898kcal/mole ΔH°: -10.9kcal/mole logk: 3.13E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24427((3R,5R)-7-[2-ethyl-5-(4-fluorophenyl)-3-(phenylcar...)
ITC DataΔG°: -9.88kcal/mole −TΔS°: 0.398kcal/mole ΔH°: -10.3kcal/mole logk: 1.46E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24433((3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-methyl-5-(phe...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: 0.500kcal/mole ΔH°: -11.4kcal/mole logk: 6.99E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24432((3R,5R)-7-[3-(4-fluorophenyl)-5-{[4-(methoxycarbon...)
ITC DataΔG°: -11.1kcal/mole −TΔS°: 0.898kcal/mole ΔH°: -12.0kcal/mole logk: 1.06E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24426((3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)...)
ITC DataΔG°: -10.5kcal/mole −TΔS°: 1.20kcal/mole ΔH°: -11.7kcal/mole logk: 3.65E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24431((3R,5R)-7-[3-(4-fluorophenyl)-1-methyl-5-{[(5-meth...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: 1.30kcal/mole ΔH°: -12.2kcal/mole logk: 7.14E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24430((3R,5R)-7-(5-{[4-(dimethylcarbamoyl)phenyl]carbamo...)
ITC DataΔG°: -11.5kcal/mole −TΔS°: 1.60kcal/mole ΔH°: -13.1kcal/mole logk: 1.85E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24429((3R,5R)-7-[3-(4-fluorophenyl)-4-methyl-5-(phenylca...)
ITC DataΔG°: -11.4kcal/mole −TΔS°: 2.10kcal/mole ΔH°: -13.5kcal/mole logk: 1.61E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
ITC DataΔG°: -10.8kcal/mole −TΔS°: 2.40kcal/mole ΔH°: -13.2kcal/mole logk: 5.88E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM18373(3-Hydroxy-3-methylglutaryl-CoA | HMG-CoA)
ITC DataΔG°: -6.69kcal/mole −TΔS°: 2.40kcal/mole ΔH°: -9.09kcal/mole logk: 6.92E+4
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24437((3R,5R)-7-[2-(4-fluorophenyl)-4-(morpholin-4-ylsul...)
ITC DataΔG°: -10.6kcal/mole −TΔS°: 2.50kcal/mole ΔH°: -13.2kcal/mole logk: 4.69E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24438((3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(2-methox...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: 2.79kcal/mole ΔH°: -13.0kcal/mole logk: 2.34E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24418((3R,5R)-7-[2-(4-fluorophenyl)-4-{methyl[(1S)-1-phe...)
ITC DataΔG°: -11.3kcal/mole −TΔS°: 2.90kcal/mole ΔH°: -14.1kcal/mole logk: 1.33E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24428((3R,5R)-7-[3-(4-fluorophenyl)-1-methyl-4-phenyl-5-...)
ITC DataΔG°: -10.5kcal/mole −TΔS°: 3.10kcal/mole ΔH°: -13.7kcal/mole logk: 3.80E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24436((3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(methoxyc...)
ITC DataΔG°: -9.68kcal/mole −TΔS°: 3.69kcal/mole ΔH°: -13.5kcal/mole logk: 1.04E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24416((3R,5R)-7-[2-(4-fluorophenyl)-4-{[(4-phenylphenyl)...)
ITC DataΔG°: -11.1kcal/mole −TΔS°: 4.09kcal/mole ΔH°: -15.2kcal/mole logk: 1.03E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24417((3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1...)
ITC DataΔG°: -10.1kcal/mole −TΔS°: 4.49kcal/mole ΔH°: -14.6kcal/mole logk: 1.93E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24415((3R,5R)-7-[4-(benzylcarbamoyl)-2-(3,4-difluorophen...)
ITC DataΔG°: -11.3kcal/mole −TΔS°: 4.59kcal/mole ΔH°: -15.9kcal/mole logk: 1.45E+8
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24421((3R,5R)-7-[2-(benzylcarbamoyl)-4-(4-fluorophenyl)-...)
ITC DataΔG°: -10.4kcal/mole −TΔS°: 5.99kcal/mole ΔH°: -16.4kcal/mole logk: 3.16E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24414((3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: 6.69kcal/mole ΔH°: -17.7kcal/mole logk: 7.41E+7
pH: 7.2 T: 30.00°C 
Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24420((3R,5R)-7-[4-(4-fluorophenyl)-2-{[(3-fluorophenyl)...)
ITC DataΔG°: -10.5kcal/mole −TΔS°: 7.19kcal/mole ΔH°: -17.7kcal/mole logk: 3.72E+7
pH: 7.2 T: 30.00°C 
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