Compile Data Set for Download or QSAR

Found 83 hits with all data for this entryid   

HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36011(4-benzylpiperidine)
ITC DataΔG°: -18.8kJ/mole −TΔS°: -5.10kJ/mole ΔH°: -13.8kJ/mole logk: 2.00E+3
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36016(hexyl-beta-D-glucopyranoside)
ITC DataΔG°: -16.7kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -18.5kJ/mole logk: 832
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
ITC DataΔG°: -14.9kJ/mole −TΔS°: 1.01kJ/mole ΔH°: -15.9kJ/mole logk: 407
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36010(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
ITC DataΔG°: -12.8kJ/mole −TΔS°: 7.60kJ/mole ΔH°: -20.4kJ/mole logk: 174
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -12.3kJ/mole −TΔS°: -4.71kJ/mole ΔH°: -7.60kJ/mole logk: 141
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36009(L-alpha-o-benzylglycerol)
ITC DataΔG°: -12.0kJ/mole −TΔS°: -2.80kJ/mole ΔH°: -9.20kJ/mole logk: 129
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -11.6kJ/mole −TΔS°: -2.41kJ/mole ΔH°: -9.20kJ/mole logk: 110
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -11.3kJ/mole −TΔS°: 1.19kJ/mole ΔH°: -12.5kJ/mole logk: 96.6
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -11.3kJ/mole −TΔS°: -1.79kJ/mole ΔH°: -9.44kJ/mole logk: 95.5
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -11.2kJ/mole −TΔS°: -3.19kJ/mole ΔH°: -8.08kJ/mole logk: 93.3
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -11.1kJ/mole −TΔS°: -4.29kJ/mole ΔH°: -6.84kJ/mole logk: 89.1
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -10.8kJ/mole −TΔS°: -1.10kJ/mole ΔH°: -9.70kJ/mole logk: 79
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -10.8kJ/mole −TΔS°: 1.40kJ/mole ΔH°: -12.2kJ/mole logk: 78.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -10.8kJ/mole −TΔS°: -2.59kJ/mole ΔH°: -8.21kJ/mole logk: 77.6
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -10.7kJ/mole −TΔS°: 1.01kJ/mole ΔH°: -11.7kJ/mole logk: 75.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36020(4-O-methyldopamine)
ITC DataΔG°: -10.7kJ/mole −TΔS°: 3.19kJ/mole ΔH°: -13.4kJ/mole logk: 60.4
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -10.7kJ/mole −TΔS°: -3.49kJ/mole ΔH°: -7.23kJ/mole logk: 74.1
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36015((1S,2R)-(+)-ephedrine)
ITC DataΔG°: -10.6kJ/mole −TΔS°: -1.91kJ/mole ΔH°: -8.71kJ/mole logk: 70.8
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM50067723((4-hydroxyphenethyl)ammonium | 2-(4-Hydroxy-phenyl...)
ITC DataΔG°: -10.6kJ/mole −TΔS°: 3.19kJ/mole ΔH°: -13.8kJ/mole logk: 71.3
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36028((1R,2R)-(-)-pseudoephedrine)
ITC DataΔG°: -10.5kJ/mole −TΔS°: -0.507kJ/mole ΔH°: -9.99kJ/mole logk: 69.2
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -10.4kJ/mole −TΔS°: 2.89kJ/mole ΔH°: -13.3kJ/mole logk: 66.1
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM50067723((4-hydroxyphenethyl)ammonium | 2-(4-Hydroxy-phenyl...)
ITC DataΔG°: -10.3kJ/mole −TΔS°: 3.49kJ/mole ΔH°: -13.8kJ/mole logk: 63.0
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -10.2kJ/mole −TΔS°: 6.29kJ/mole ΔH°: -16.5kJ/mole logk: 60.3
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
ITC DataΔG°: -10.2kJ/mole −TΔS°: 18.8kJ/mole ΔH°: -28.9kJ/mole logk: 60.3
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -10.1kJ/mole −TΔS°: -0.805kJ/mole ΔH°: -9.31kJ/mole logk: 58.9
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36015((1S,2R)-(+)-ephedrine)
ITC DataΔG°: -9.95kJ/mole −TΔS°: -1.19kJ/mole ΔH°: -8.79kJ/mole logk: 55
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36022((+/-)-octopamine | Octopamine,(+/-))
ITC DataΔG°: -9.83kJ/mole −TΔS°: 3.81kJ/mole ΔH°: -13.7kJ/mole logk: 52.5
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36020(4-O-methyldopamine)
ITC DataΔG°: -9.78kJ/mole −TΔS°: 5.51kJ/mole ΔH°: -15.3kJ/mole logk: 51.3
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36024((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
ITC DataΔG°: -9.52kJ/mole −TΔS°: 9.89kJ/mole ΔH°: -19.4kJ/mole logk: 46.6
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -9.44kJ/mole −TΔS°: 4.50kJ/mole ΔH°: -13.9kJ/mole logk: 44.7
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36011(4-benzylpiperidine)
ITC DataΔG°: -9.43kJ/mole −TΔS°: 10.4kJ/mole ΔH°: -19.9kJ/mole logk: 44.7
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36022((+/-)-octopamine | Octopamine,(+/-))
ITC DataΔG°: -9.40kJ/mole −TΔS°: 6.50kJ/mole ΔH°: -15.9kJ/mole logk: 44.7
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -9.39kJ/mole −TΔS°: 10.4kJ/mole ΔH°: -19.8kJ/mole logk: 44.2
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36024((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
ITC DataΔG°: -9.10kJ/mole −TΔS°: 12.8kJ/mole ΔH°: -21.9kJ/mole logk: 39.3
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -9.08kJ/mole −TΔS°: 0.298kJ/mole ΔH°: -9.39kJ/mole logk: 38.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -9.06kJ/mole −TΔS°: 9.09kJ/mole ΔH°: -18.2kJ/mole logk: 38.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM7886(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
ITC DataΔG°: -9kJ/mole −TΔS°: 11.0kJ/mole ΔH°: -20kJ/mole logk: 37.2
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -8.94kJ/mole −TΔS°: 1.31kJ/mole ΔH°: -10.2kJ/mole logk: 37.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -8.81kJ/mole −TΔS°: 10.0kJ/mole ΔH°: -18.8kJ/mole logk: 34.7
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -8.65kJ/mole −TΔS°: 12.0kJ/mole ΔH°: -20.7kJ/mole logk: 32.4
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM50049797((3,4-dihydroxyphenethyl)ammonium | DOPAMINE)
ITC DataΔG°: -8.58kJ/mole −TΔS°: 7.90kJ/mole ΔH°: -16.5kJ/mole logk: 32
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36032([2-(4-aminophenyl)ethyl]ammonium)
ITC DataΔG°: -8.54kJ/mole −TΔS°: 0.209kJ/mole ΔH°: -8.70kJ/mole logk: 32
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -8.54kJ/mole −TΔS°: 6.91kJ/mole ΔH°: -15.5kJ/mole logk: 32
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM50049797((3,4-dihydroxyphenethyl)ammonium | DOPAMINE)
ITC DataΔG°: -8.46kJ/mole −TΔS°: 9.80kJ/mole ΔH°: -18.3kJ/mole logk: 30.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -8.44kJ/mole −TΔS°: 6.59kJ/mole ΔH°: -15kJ/mole logk: 30.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -8.30kJ/mole −TΔS°: -2.00kJ/mole ΔH°: -6.30kJ/mole logk: 28.2
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -8.16kJ/mole −TΔS°: 5.39kJ/mole ΔH°: -13.6kJ/mole logk: 26.9
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM7886(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
ITC DataΔG°: -8kJ/mole −TΔS°: 31.0kJ/mole ΔH°: -39kJ/mole logk: 25
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
NIST

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -7.90kJ/mole −TΔS°: -1.49kJ/mole ΔH°: -6.40kJ/mole logk: 24
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
NIST

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -7.85kJ/mole −TΔS°: 8.91kJ/mole ΔH°: -16.8kJ/mole logk: 23.4
pH: 6.9 T: 24.85°C 
In DepthDetails
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