Compile Data Set for Download or QSAR
maximum 50k data

Found 66 hits with all data for this entryid   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.66kcal/mole −TΔS°: 0.121kcal/mole ΔH°: -4.78kcal/mole logk: 2.61E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -4.66kcal/mole logk: 2.44E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.285kcal/mole ΔH°: -4.90kcal/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36178(cycloheptanol)
ITC DataΔG°: -4.59kcal/mole −TΔS°: -1.78kcal/mole ΔH°: -2.81kcal/mole logk: 2.32E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36178(cycloheptanol)
ITC DataΔG°: -4.56kcal/mole −TΔS°: -1.60kcal/mole ΔH°: -2.96kcal/mole logk: 2.20E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.54kcal/mole −TΔS°: 0.313kcal/mole ΔH°: -4.85kcal/mole logk: 2.14E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -4.02kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -4.16kcal/mole logk: 895
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 0.192kcal/mole ΔH°: -4.18kcal/mole logk: 840
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.92kcal/mole −TΔS°: -2.49kcal/mole ΔH°: -1.43kcal/mole logk: 746
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -3.90kcal/mole −TΔS°: -2.57kcal/mole ΔH°: -1.33kcal/mole logk: 721
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.36kcal/mole ΔH°: -1.50kcal/mole logk: 701
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.54kcal/mole ΔH°: -1.33kcal/mole logk: 690
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -3.83kcal/mole −TΔS°: -2.49kcal/mole ΔH°: -1.34kcal/mole logk: 648
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -3.82kcal/mole −TΔS°: 1.34kcal/mole ΔH°: -5.16kcal/mole logk: 633
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.81kcal/mole −TΔS°: -2.34kcal/mole ΔH°: -1.48kcal/mole logk: 624
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -3.75kcal/mole −TΔS°: 1.21kcal/mole ΔH°: -4.94kcal/mole logk: 564
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.65kcal/mole −TΔS°: -0.947kcal/mole ΔH°: -2.70kcal/mole logk: 474
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.58kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -4.01kcal/mole logk: 421
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.55kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -2.48kcal/mole logk: 405
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.53kcal/mole −TΔS°: 0.648kcal/mole ΔH°: -4.18kcal/mole logk: 389
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36143(3-(4-Hydroxyphenyl)propionate | 3-(4-hydroxyphenyl...)
ITC DataΔG°: -3.49kcal/mole −TΔS°: 0.107kcal/mole ΔH°: -3.60kcal/mole logk: 363
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36073((R)-1-cyclohexylethylamine)
ITC DataΔG°: -3.45kcal/mole −TΔS°: -1.66kcal/mole ΔH°: -1.80kcal/mole logk: 341
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.45kcal/mole −TΔS°: -0.306kcal/mole ΔH°: -3.15kcal/mole logk: 339
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

ITC DataΔG°: -3.45kcal/mole −TΔS°: -1.00kcal/mole ΔH°: -2.44kcal/mole logk: 337
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36073((R)-1-cyclohexylethylamine)
ITC DataΔG°: -3.43kcal/mole −TΔS°: -1.56kcal/mole ΔH°: -1.87kcal/mole logk: 329
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.39kcal/mole −TΔS°: -0.249kcal/mole ΔH°: -3.14kcal/mole logk: 306
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM22603(1-pentanol | Pentan-1-ol | n-pentanol | pentanol)
ITC DataΔG°: -3.38kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -3.44kcal/mole logk: 302
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.38kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -3.42kcal/mole logk: 300
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36143(3-(4-Hydroxyphenyl)propionate | 3-(4-hydroxyphenyl...)
ITC DataΔG°: -3.37kcal/mole −TΔS°: 0.0285kcal/mole ΔH°: -3.40kcal/mole logk: 297
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.36kcal/mole −TΔS°: -0.121kcal/mole ΔH°: -3.23kcal/mole logk: 289
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM22603(1-pentanol | Pentan-1-ol | n-pentanol | pentanol)
ITC DataΔG°: -3.35kcal/mole −TΔS°: 0.164kcal/mole ΔH°: -3.51kcal/mole logk: 287
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

ITC DataΔG°: -3.35kcal/mole −TΔS°: -0.883kcal/mole ΔH°: -2.46kcal/mole logk: 285
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36115(1-methyl-3-phenylpropylamine)
ITC DataΔG°: -3.18kcal/mole −TΔS°: -0.904kcal/mole ΔH°: -2.27kcal/mole logk: 215
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -3.15kcal/mole −TΔS°: 1.27kcal/mole ΔH°: -4.42kcal/mole logk: 204
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36115(1-methyl-3-phenylpropylamine)
ITC DataΔG°: -3.10kcal/mole −TΔS°: -1.04kcal/mole ΔH°: -2.06kcal/mole logk: 188
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36176(cyclopentanol)
ITC DataΔG°: -3.09kcal/mole −TΔS°: -2.16kcal/mole ΔH°: -0.929kcal/mole logk: 186
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -1.30kcal/mole ΔH°: -1.79kcal/mole logk: 183
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -3.07kcal/mole −TΔS°: 1.21kcal/mole ΔH°: -4.25kcal/mole logk: 178
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36176(cyclopentanol)
ITC DataΔG°: -3.05kcal/mole −TΔS°: -1.96kcal/mole ΔH°: -1.10kcal/mole logk: 175
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.01kcal/mole −TΔS°: -1.36kcal/mole ΔH°: -1.65kcal/mole logk: 162
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -2.99kcal/mole −TΔS°: 1.55kcal/mole ΔH°: -4.54kcal/mole logk: 156
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -2.88kcal/mole −TΔS°: 1.21kcal/mole ΔH°: -4.08kcal/mole logk: 130
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

ITC DataΔG°: -2.78kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -2.20kcal/mole logk: 109
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36144(3-(2-Hydroxyphenyl)propionate | 3-(2-hydroxyphenyl...)
ITC DataΔG°: -2.74kcal/mole −TΔS°: 1.08kcal/mole ΔH°: -3.82kcal/mole logk: 102
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

ITC DataΔG°: -2.70kcal/mole −TΔS°: -0.620kcal/mole ΔH°: -2.08kcal/mole logk: 95
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -2.62kcal/mole −TΔS°: -0.0641kcal/mole ΔH°: -2.56kcal/mole logk: 83.8
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM50067723((4-hydroxyphenethyl)ammonium | 2-(4-Hydroxy-phenyl...)
ITC DataΔG°: -2.61kcal/mole −TΔS°: 0.947kcal/mole ΔH°: -3.56kcal/mole logk: 82.1
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36144(3-(2-Hydroxyphenyl)propionate | 3-(2-hydroxyphenyl...)
ITC DataΔG°: -2.60kcal/mole −TΔS°: 1.03kcal/mole ΔH°: -3.63kcal/mole logk: 81
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36034(N-acetyl-L-phenylalanine | N-acetyl-L-phenylalanin...)
ITC DataΔG°: -2.59kcal/mole −TΔS°: -0.491kcal/mole ΔH°: -2.10kcal/mole logk: 80
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science and Technology Agency

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -2.59kcal/mole −TΔS°: 0.0214kcal/mole ΔH°: -2.60kcal/mole logk: 79.5
pH: 6.9 T: 25.00°C 
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