Compile Data Set for Download or QSAR

Found 95 hits with all data for this entryid   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36077((R)-N,N-dimethyl-1-ferrocenylethylamine | (S)-N,N-...)
ITC DataΔG°: -21.8kJ/mole −TΔS°: 6.89kJ/mole ΔH°: -28.7kJ/mole logk: 6.70E+3
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36106((1R,2R,3S,5R)-pinanediol)
ITC DataΔG°: -21.7kJ/mole −TΔS°: -1.31kJ/mole ΔH°: -20.4kJ/mole logk: 6.43E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36107((1S,2S,3R,5S)-pinanediol)
ITC DataΔG°: -21.7kJ/mole −TΔS°: -1.40kJ/mole ΔH°: -20.3kJ/mole logk: 6.36E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36077((R)-N,N-dimethyl-1-ferrocenylethylamine | (S)-N,N-...)
ITC DataΔG°: -21.4kJ/mole −TΔS°: 7.19kJ/mole ΔH°: -28.6kJ/mole logk: 5.60E+3
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36055((R)-3-bromo-8-camphorsulfonic acid)
ITC DataΔG°: -20.4kJ/mole −TΔS°: 9.69kJ/mole ΔH°: -30.1kJ/mole logk: 3.76E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36056((S)-3-bromo-8-camphorsulfonic acid)
ITC DataΔG°: -20.3kJ/mole −TΔS°: 9.30kJ/mole ΔH°: -29.6kJ/mole logk: 3.64E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36065((R)-camphorquinone-3-oxime)
ITC DataΔG°: -19.5kJ/mole −TΔS°: 7.60kJ/mole ΔH°: -27.1kJ/mole logk: 2.61E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36065((R)-camphorquinone-3-oxime)
ITC DataΔG°: -19.4kJ/mole −TΔS°: 7.69kJ/mole ΔH°: -27kJ/mole logk: 2.45E+3
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36066((S)-camphorquinone-3-oxime)
ITC DataΔG°: -19.3kJ/mole −TΔS°: 7.90kJ/mole ΔH°: -27.2kJ/mole logk: 2.44E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36085((1R,2R,5R)-2-hydroxy-3-pinanone)
ITC DataΔG°: -19.3kJ/mole −TΔS°: 0.209kJ/mole ΔH°: -19.5kJ/mole logk: 2.36E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36066((S)-camphorquinone-3-oxime)
ITC DataΔG°: -19.2kJ/mole −TΔS°: 7.90kJ/mole ΔH°: -27.1kJ/mole logk: 2.34E+3
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36086((1S,2S,5S)-2-hydroxy-3-pinanone)
ITC DataΔG°: -19.2kJ/mole −TΔS°: 0.805kJ/mole ΔH°: -20kJ/mole logk: 2.31E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36114(cyclohexylacetic acid)
ITC DataΔG°: -17.7kJ/mole −TΔS°: -12.8kJ/mole ΔH°: -4.93kJ/mole logk: 1.27E+3
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.2kJ/mole −TΔS°: -9.90kJ/mole ΔH°: -6.30kJ/mole logk: 701
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36051(N-t-Boc-D-alanine methyl ester)
ITC DataΔG°: -16.1kJ/mole −TΔS°: -2.30kJ/mole ΔH°: -13.8kJ/mole logk: 659
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -16.1kJ/mole −TΔS°: -10.4kJ/mole ΔH°: -5.61kJ/mole logk: 648
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36084((S)-hexahydromandelic acid)
ITC DataΔG°: -15.9kJ/mole −TΔS°: -10.5kJ/mole ΔH°: -5.36kJ/mole logk: 603
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36052(N-t-Boc-L-alanine methyl ester)
ITC DataΔG°: -15.8kJ/mole −TΔS°: -2.98kJ/mole ΔH°: -12.8kJ/mole logk: 578
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -15.7kJ/mole −TΔS°: 5.07kJ/mole ΔH°: -20.7kJ/mole logk: 564
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36068((S)-10-camphorsulfonic acid)
ITC DataΔG°: -15.3kJ/mole −TΔS°: 4.20kJ/mole ΔH°: -19.5kJ/mole logk: 489
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36099((S)-3-phenylbutyric acid)
ITC DataΔG°: -15.0kJ/mole −TΔS°: -6.35kJ/mole ΔH°: -8.68kJ/mole logk: 430
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36117(((+/-)-3-phenylbutyric acid | 3-phenylbutanoate)
ITC DataΔG°: -14.9kJ/mole −TΔS°: -6.29kJ/mole ΔH°: -8.60kJ/mole logk: 415
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -14.9kJ/mole −TΔS°: -4.50kJ/mole ΔH°: -10.4kJ/mole logk: 405
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -14.9kJ/mole −TΔS°: -6.23kJ/mole ΔH°: -8.62kJ/mole logk: 402
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36049(N-t-Boc-D-alanine)
ITC DataΔG°: -14.8kJ/mole −TΔS°: -5.10kJ/mole ΔH°: -9.70kJ/mole logk: 392
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36050(N-t-Boc-L-alanine)
ITC DataΔG°: -14.6kJ/mole −TΔS°: -4.80kJ/mole ΔH°: -9.80kJ/mole logk: 367
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36073((R)-1-cyclohexylethylamine)
ITC DataΔG°: -14.4kJ/mole −TΔS°: -6.50kJ/mole ΔH°: -7.85kJ/mole logk: 329
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36074((S)-1-cyclohexylethylamine)
ITC DataΔG°: -14.4kJ/mole −TΔS°: -6.50kJ/mole ΔH°: -7.87kJ/mole logk: 328
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36053(N-t-Boc-D-serine)
ITC DataΔG°: -14.2kJ/mole −TΔS°: -3.19kJ/mole ΔH°: -11kJ/mole logk: 306
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36054(N-t-Boc-L-serine)
ITC DataΔG°: -14.0kJ/mole −TΔS°: -3.40kJ/mole ΔH°: -10.6kJ/mole logk: 285
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36060((S)-3-bromo-2-methylpropionic acid methyl ester)
ITC DataΔG°: -13.9kJ/mole −TΔS°: -1.49kJ/mole ΔH°: -12.4kJ/mole logk: 270
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36059((R)-3-bromo-2-methylpropionic acid methyl ester)
ITC DataΔG°: -13.8kJ/mole −TΔS°: -1.79kJ/mole ΔH°: -12.1kJ/mole logk: 265
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36110(benzyloxyacetaldehyde dimethyl acetal)
ITC DataΔG°: -13.7kJ/mole −TΔS°: -5.07kJ/mole ΔH°: -8.70kJ/mole logk: 220
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36041((R)-benzylglycidyl ether)
ITC DataΔG°: -13.5kJ/mole −TΔS°: -4.29kJ/mole ΔH°: -9.20kJ/mole logk: 234
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36042((S)-benzylglycidyl ether)
ITC DataΔG°: -13.5kJ/mole −TΔS°: -4.20kJ/mole ΔH°: -9.30kJ/mole logk: 228
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36062((S)-camphanic acid)
ITC DataΔG°: -13.2kJ/mole −TΔS°: 4.50kJ/mole ΔH°: -17.7kJ/mole logk: 207
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36115(1-methyl-3-phenylpropylamine)
ITC DataΔG°: -13.0kJ/mole −TΔS°: -4.35kJ/mole ΔH°: -8.64kJ/mole logk: 188
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -12.8kJ/mole −TΔS°: 5.07kJ/mole ΔH°: -17.8kJ/mole logk: 178
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36091((R)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -12.8kJ/mole −TΔS°: 4.71kJ/mole ΔH°: -17.5kJ/mole logk: 175
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -12.6kJ/mole −TΔS°: -5.69kJ/mole ΔH°: -6.90kJ/mole logk: 162
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36112(N-Cbz-glycine)
ITC DataΔG°: -12.5kJ/mole −TΔS°: -1.91kJ/mole ΔH°: -10.6kJ/mole logk: 157
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36069(N-Cbz-D-alanine)
ITC DataΔG°: -12.4kJ/mole −TΔS°: -3.49kJ/mole ΔH°: -8.90kJ/mole logk: 149
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36070(N-Cbz-L-alanine | N-Cbz-L-serine)
ITC DataΔG°: -12.4kJ/mole −TΔS°: -2.42kJ/mole ΔH°: -10kJ/mole logk: 147
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36057((R)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -12.3kJ/mole −TΔS°: -2.98kJ/mole ΔH°: -9.30kJ/mole logk: 142
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36092((S)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -12.3kJ/mole −TΔS°: 4.11kJ/mole ΔH°: -16.4kJ/mole logk: 141
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36058((S)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -12.3kJ/mole −TΔS°: -2.21kJ/mole ΔH°: -10.1kJ/mole logk: 140
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -12.1kJ/mole −TΔS°: 5.07kJ/mole ΔH°: -17.1kJ/mole logk: 130
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36037(N-acetyl-D-tyrosine)
ITC DataΔG°: -12.0kJ/mole −TΔS°: 4.71kJ/mole ΔH°: -16.7kJ/mole logk: 125
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36043(2,3-O-benzylidene-D-threitol)
ITC DataΔG°: -11.8kJ/mole −TΔS°: -4.26kJ/mole ΔH°: -7.56kJ/mole logk: 117
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36109((S)-propranolol)
ITC DataΔG°: -11.8kJ/mole −TΔS°: 8.50kJ/mole ΔH°: -20.3kJ/mole logk: 117
pH: 4.8 T: 25.00°C 
In DepthDetails
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