Compile Data Set for Download or QSAR

Found 58 hits with all data for this entryid   

HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -19.2kJ/mole −TΔS°: -8.91kJ/mole ΔH°: -10.3kJ/mole logk: 2.29E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36084((S)-hexahydromandelic acid)
ITC DataΔG°: -18.1kJ/mole −TΔS°: -10.7kJ/mole ΔH°: -7.40kJ/mole logk: 1.49E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36068((S)-10-camphorsulfonic acid)
ITC DataΔG°: -16.7kJ/mole −TΔS°: 7.90kJ/mole ΔH°: -24.6kJ/mole logk: 840
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -16.5kJ/mole −TΔS°: 7.30kJ/mole ΔH°: -23.8kJ/mole logk: 781
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36049(N-t-Boc-D-alanine)
ITC DataΔG°: -16.2kJ/mole −TΔS°: -5.19kJ/mole ΔH°: -11kJ/mole logk: 695
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36050(N-t-Boc-L-alanine)
ITC DataΔG°: -15.8kJ/mole −TΔS°: -5.10kJ/mole ΔH°: -10.7kJ/mole logk: 593
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36091((R)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -15.7kJ/mole −TΔS°: 3.40kJ/mole ΔH°: -19.1kJ/mole logk: 560
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -15.4kJ/mole −TΔS°: -9.60kJ/mole ΔH°: -5.79kJ/mole logk: 496
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36099((S)-3-phenylbutyric acid)
ITC DataΔG°: -15.1kJ/mole −TΔS°: -6.50kJ/mole ΔH°: -8.60kJ/mole logk: 439
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36129(3-(4-Hydroxyphenyl)propionate | 3-(4-hydroxyphenyl...)
ITC DataΔG°: -15.1kJ/mole −TΔS°: -2.50kJ/mole ΔH°: -12.6kJ/mole logk: 436
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -15.0kJ/mole −TΔS°: -6.59kJ/mole ΔH°: -8.40kJ/mole logk: 428
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36051(N-t-Boc-D-alanine methyl ester)
ITC DataΔG°: -14.8kJ/mole −TΔS°: -1.10kJ/mole ΔH°: -13.7kJ/mole logk: 395
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36092((S)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -14.7kJ/mole −TΔS°: 1.49kJ/mole ΔH°: -16.2kJ/mole logk: 375
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36052(N-t-Boc-L-alanine methyl ester)
ITC DataΔG°: -14.5kJ/mole −TΔS°: -1.61kJ/mole ΔH°: -12.9kJ/mole logk: 351
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°: -14.1kJ/mole −TΔS°: -3.91kJ/mole ΔH°: -10.2kJ/mole logk: 291
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -13.9kJ/mole −TΔS°: -6.26kJ/mole ΔH°: -7.70kJ/mole logk: 278
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36102((R)-phenyllactic acid)
ITC DataΔG°: -13.7kJ/mole −TΔS°: -1.01kJ/mole ΔH°: -12.7kJ/mole logk: 254
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36080(O,O'-di-p-toluoyl-L-tartaric acid)
ITC DataΔG°: -13.6kJ/mole −TΔS°: -8.29kJ/mole ΔH°: -5.28kJ/mole logk: 240
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36079(O,O'-di-p-toluoyl-D-tartaric acid)
ITC DataΔG°: -13.6kJ/mole −TΔS°: -6.89kJ/mole ΔH°: -6.67kJ/mole logk: 237
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36096((R)-2-phenylbutyric acid)
ITC DataΔG°: -13.4kJ/mole −TΔS°: -5.19kJ/mole ΔH°: -8.20kJ/mole logk: 226
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36062((S)-camphanic acid)
ITC DataΔG°: -13.2kJ/mole −TΔS°: 3.19kJ/mole ΔH°: -16.4kJ/mole logk: 205
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -13.2kJ/mole −TΔS°: -3.49kJ/mole ΔH°: -9.70kJ/mole logk: 201
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36097((S)-2-phenylbutyric acid)
ITC DataΔG°: -13.1kJ/mole −TΔS°: -4.80kJ/mole ΔH°: -8.36kJ/mole logk: 200
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36074((S)-1-cyclohexylethylamine)
ITC DataΔG°: -13.1kJ/mole −TΔS°: -6.20kJ/mole ΔH°: -6.87kJ/mole logk: 194
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36103((S)-phenyllactic acid)
ITC DataΔG°: -13.0kJ/mole −TΔS°: -2.50kJ/mole ΔH°: -10.5kJ/mole logk: 189
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36073((R)-1-cyclohexylethylamine)
ITC DataΔG°: -13.0kJ/mole −TΔS°: -6.11kJ/mole ΔH°: -6.86kJ/mole logk: 188
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36069(N-Cbz-D-alanine)
ITC DataΔG°: -12.9kJ/mole −TΔS°: -2.42kJ/mole ΔH°: -10.5kJ/mole logk: 183
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36134(4-methylphenylacetate | 4-tolylacetic acid)
ITC DataΔG°: -12.9kJ/mole −TΔS°: -1.79kJ/mole ΔH°: -11.1kJ/mole logk: 181
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -12.8kJ/mole −TΔS°: 3.70kJ/mole ΔH°: -16.5kJ/mole logk: 173
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36070(N-Cbz-L-alanine | N-Cbz-L-serine)
ITC DataΔG°: -12.8kJ/mole −TΔS°: -2.21kJ/mole ΔH°: -10.6kJ/mole logk: 172
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36130(CHEMBL181124 | sodium hexafluorophosphate)
ITC DataΔG°: -12.3kJ/mole −TΔS°: 8.59kJ/mole ΔH°: -20.9kJ/mole logk: 145
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36128(3-(2-Hydroxyphenyl)propionate | 3-(2-hydroxyphenyl...)
ITC DataΔG°: -12.2kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -14.0kJ/mole logk: 138
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -12.1kJ/mole −TΔS°: 2.98kJ/mole ΔH°: -15.1kJ/mole logk: 134
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36057((R)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -11.8kJ/mole −TΔS°: -3.31kJ/mole ΔH°: -8.5kJ/mole logk: 116
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36037(N-acetyl-D-tyrosine)
ITC DataΔG°: -11.7kJ/mole −TΔS°: 0.686kJ/mole ΔH°: -12.4kJ/mole logk: 114
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36058((S)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -11.7kJ/mole −TΔS°: -2.30kJ/mole ΔH°: -9.41kJ/mole logk: 113
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36130(CHEMBL181124 | sodium hexafluorophosphate)
ITC DataΔG°: -11.5kJ/mole −TΔS°: 11.6kJ/mole ΔH°: -23.1kJ/mole logk: 102
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

ITC DataΔG°: -11.3kJ/mole −TΔS°: -2.50kJ/mole ΔH°: -8.79kJ/mole logk: 95
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36115(1-methyl-3-phenylpropylamine)
ITC DataΔG°: -11.2kJ/mole −TΔS°: -3.61kJ/mole ΔH°: -7.58kJ/mole logk: 92
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36034(N-acetyl-L-phenylalanine | N-acetyl-L-phenylalanin...)
ITC DataΔG°: -10.8kJ/mole −TΔS°: -3.67kJ/mole ΔH°: -7.14kJ/mole logk: 78
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36075(O,O'-dibenzoyl-D-tartaric acid)
ITC DataΔG°: -10.3kJ/mole −TΔS°: -5.19kJ/mole ΔH°: -5.09kJ/mole logk: 63
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36033(N-acetyl-D-phenylalanine)
ITC DataΔG°: -10.1kJ/mole −TΔS°: -3.49kJ/mole ΔH°: -6.62kJ/mole logk: 58
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM50129068((2R)-hydroxy(phenyl)acetate | (R)-2-Hydroxy-2-phen...)
ITC DataΔG°: -9.93kJ/mole −TΔS°: -3.19kJ/mole ΔH°: -6.75kJ/mole logk: 55
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36133(3-methylphenylacetate | 3-tolylacetic acid)
ITC DataΔG°: -9.89kJ/mole −TΔS°: -2.06kJ/mole ΔH°: -7.83kJ/mole logk: 54
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM50129063((2S)-hydroxy(phenyl)acetate | (S)-mandelate | (S)-...)
ITC DataΔG°: -9.40kJ/mole −TΔS°: -4.50kJ/mole ΔH°: -4.90kJ/mole logk: 44
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36076(O,O'-dibenzoyl-L-tartaric acid)
ITC DataΔG°: -9.38kJ/mole −TΔS°: -5.69kJ/mole ΔH°: -3.66kJ/mole logk: 44
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36088((S)-mandelic acid methyl ester)
ITC DataΔG°: -9.30kJ/mole −TΔS°: -2.42kJ/mole ΔH°: -6.90kJ/mole logk: 42
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36087((R)-mandelic acid methyl ester)
ITC DataΔG°: -9.30kJ/mole −TΔS°: -2.80kJ/mole ΔH°: -6.90kJ/mole logk: 42
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36082(Gly-L-Phe)
ITC DataΔG°: -9.26kJ/mole −TΔS°: -0.894kJ/mole ΔH°: -8.40kJ/mole logk: 42
pH: 6.1 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36081(Gly-D-Phe)
ITC DataΔG°: -9.08kJ/mole −TΔS°: -1.70kJ/mole ΔH°: -7.40kJ/mole logk: 39
pH: 6.1 T: 25.00°C 
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