Compile Data Set for Download or QSAR
maximum 50k data

Found 74 hits with non-zero ITC data for monomer = 36127   

HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36249(1-Adamantanemethanol)
ITC DataΔG°: -6.94kcal/mole −TΔS°: 0.290kcal/mole ΔH°: -7.23kcal/mole logk: 1.02E+5
pH: 7.0 T: 30.10°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
ITC DataΔG°: -5.94kcal/mole −TΔS°: 0.0362kcal/mole ΔH°: -5.98kcal/mole logk: 1.93E+4
pH: 7.0 T: 30.10°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36165(cholate (CA))
ITC DataΔG°: -5.52kcal/mole −TΔS°: 0.584kcal/mole ΔH°: -6.10kcal/mole logk: 1.12E+4
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36168(deoxycholate (DCA))
ITC DataΔG°: -5.30kcal/mole −TΔS°: 2.39kcal/mole ΔH°: -7.68kcal/mole logk: 7.71E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36253(FC8+Br-)
ITC DataΔG°: -4.86kcal/mole −TΔS°: -0.164kcal/mole ΔH°: -4.69kcal/mole logk: 3.68E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36251(FC4+Br-)
ITC DataΔG°: -4.76kcal/mole −TΔS°: 0.862kcal/mole ΔH°: -5.63kcal/mole logk: 3.13E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36170(taurocholate (TCA))
ITC DataΔG°: -4.59kcal/mole −TΔS°: 1.84kcal/mole ΔH°: -6.42kcal/mole logk: 2.31E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -4.58kcal/mole −TΔS°: -2.13kcal/mole ΔH°: -2.46kcal/mole logk: 2.29E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36169(glycocholate (GCA))
ITC DataΔG°: -4.52kcal/mole −TΔS°: 1.67kcal/mole ΔH°: -6.19kcal/mole logk: 2.08E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36084((S)-hexahydromandelic acid)
ITC DataΔG°: -4.33kcal/mole −TΔS°: -2.56kcal/mole ΔH°: -1.77kcal/mole logk: 1.49E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36068((S)-10-camphorsulfonic acid)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 1.89kcal/mole ΔH°: -5.88kcal/mole logk: 840
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -3.94kcal/mole −TΔS°: 1.74kcal/mole ΔH°: -5.68kcal/mole logk: 781
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36049(N-t-Boc-D-alanine)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -1.24kcal/mole ΔH°: -2.63kcal/mole logk: 695
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36050(N-t-Boc-L-alanine)
ITC DataΔG°: -3.78kcal/mole −TΔS°: -1.22kcal/mole ΔH°: -2.56kcal/mole logk: 593
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36091((R)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -3.75kcal/mole −TΔS°: 0.812kcal/mole ΔH°: -4.56kcal/mole logk: 560
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.68kcal/mole −TΔS°: -2.29kcal/mole ΔH°: -1.38kcal/mole logk: 496
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36099((S)-3-phenylbutyric acid)
ITC DataΔG°: -3.60kcal/mole −TΔS°: -1.55kcal/mole ΔH°: -2.05kcal/mole logk: 439
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36129(3-(4-Hydroxyphenyl)propionate | 3-(4-hydroxyphenyl...)
ITC DataΔG°: -3.60kcal/mole −TΔS°: -0.598kcal/mole ΔH°: -3.00kcal/mole logk: 436
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.59kcal/mole −TΔS°: -1.57kcal/mole ΔH°: -2.01kcal/mole logk: 428
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36051(N-t-Boc-D-alanine methyl ester)
ITC DataΔG°: -3.54kcal/mole −TΔS°: -0.263kcal/mole ΔH°: -3.28kcal/mole logk: 395
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36092((S)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -3.51kcal/mole −TΔS°: 0.356kcal/mole ΔH°: -3.87kcal/mole logk: 375
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36052(N-t-Boc-L-alanine methyl ester)
ITC DataΔG°: -3.47kcal/mole −TΔS°: -0.385kcal/mole ΔH°: -3.09kcal/mole logk: 351
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

ITC DataΔG°: -3.45kcal/mole −TΔS°: -1.00kcal/mole ΔH°: -2.44kcal/mole logk: 337
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

ITC DataΔG°: -3.36kcal/mole −TΔS°: -0.933kcal/mole ΔH°: -2.44kcal/mole logk: 291
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

ITC DataΔG°: -3.35kcal/mole −TΔS°: -0.883kcal/mole ΔH°: -2.46kcal/mole logk: 285
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.33kcal/mole −TΔS°: -1.50kcal/mole ΔH°: -1.84kcal/mole logk: 278
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36102((R)-phenyllactic acid)
ITC DataΔG°: -3.28kcal/mole −TΔS°: -0.242kcal/mole ΔH°: -3.03kcal/mole logk: 254
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36080(O,O'-di-p-toluoyl-L-tartaric acid)
ITC DataΔG°: -3.24kcal/mole −TΔS°: -1.98kcal/mole ΔH°: -1.26kcal/mole logk: 240
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36079(O,O'-di-p-toluoyl-D-tartaric acid)
ITC DataΔG°: -3.24kcal/mole −TΔS°: -1.64kcal/mole ΔH°: -1.59kcal/mole logk: 237
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36096((R)-2-phenylbutyric acid)
ITC DataΔG°: -3.21kcal/mole −TΔS°: -1.24kcal/mole ΔH°: -1.96kcal/mole logk: 226
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36062((S)-camphanic acid)
ITC DataΔG°: -3.15kcal/mole −TΔS°: 0.762kcal/mole ΔH°: -3.92kcal/mole logk: 205
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.14kcal/mole −TΔS°: -0.833kcal/mole ΔH°: -2.32kcal/mole logk: 201
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36097((S)-2-phenylbutyric acid)
ITC DataΔG°: -3.14kcal/mole −TΔS°: -1.15kcal/mole ΔH°: -2.00kcal/mole logk: 200
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36074((S)-1-cyclohexylethylamine)
ITC DataΔG°: -3.12kcal/mole −TΔS°: -1.48kcal/mole ΔH°: -1.64kcal/mole logk: 194
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36103((S)-phenyllactic acid)
ITC DataΔG°: -3.10kcal/mole −TΔS°: -0.598kcal/mole ΔH°: -2.51kcal/mole logk: 189
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36073((R)-1-cyclohexylethylamine)
ITC DataΔG°: -3.10kcal/mole −TΔS°: -1.46kcal/mole ΔH°: -1.64kcal/mole logk: 188
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36069(N-Cbz-D-alanine)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -2.51kcal/mole logk: 183
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36134(4-methylphenylacetate | 4-tolylacetic acid)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -2.64kcal/mole logk: 181
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -3.05kcal/mole −TΔS°: 0.883kcal/mole ΔH°: -3.94kcal/mole logk: 173
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36070(N-Cbz-L-alanine | N-Cbz-L-serine)
ITC DataΔG°: -3.05kcal/mole −TΔS°: -0.527kcal/mole ΔH°: -2.53kcal/mole logk: 172
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36130(CHEMBL181124 | sodium hexafluorophosphate)
ITC DataΔG°: -2.95kcal/mole −TΔS°: 2.05kcal/mole ΔH°: -4.99kcal/mole logk: 145
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36128(3-(2-Hydroxyphenyl)propionate | 3-(2-hydroxyphenyl...)
ITC DataΔG°: -2.92kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -3.35kcal/mole logk: 138
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -2.90kcal/mole −TΔS°: 0.712kcal/mole ΔH°: -3.61kcal/mole logk: 134
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36057((R)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -2.81kcal/mole −TΔS°: -0.790kcal/mole ΔH°: -2.03kcal/mole logk: 116
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36037(N-acetyl-D-tyrosine)
ITC DataΔG°: -2.80kcal/mole −TΔS°: 0.164kcal/mole ΔH°: -2.96kcal/mole logk: 114
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36058((S)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -2.80kcal/mole −TΔS°: -0.548kcal/mole ΔH°: -2.25kcal/mole logk: 113
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36115(1-methyl-3-phenylpropylamine)
ITC DataΔG°: -2.68kcal/mole −TΔS°: -0.862kcal/mole ΔH°: -1.81kcal/mole logk: 92
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36034(N-acetyl-L-phenylalanine | N-acetyl-L-phenylalanin...)
ITC DataΔG°: -2.58kcal/mole −TΔS°: -0.876kcal/mole ΔH°: -1.71kcal/mole logk: 78
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.58kcal/mole −TΔS°: -0.762kcal/mole ΔH°: -1.83kcal/mole logk: 78
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Universidade De Santiago De Compostela

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.55kcal/mole −TΔS°: -0.741kcal/mole ΔH°: -1.82kcal/mole logk: 74
pH: 6.9 T: 25.00°C 
  • Reorder this table by ΔH°
  • Reorder this table by ΔS°
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kJ/mol