Compile Data Set for Download or QSAR
maximum 50k data

Found 332 hits with non-zero ITC data for monomer = 11   

HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36261(alkyldimethyl(ferrocenylmethy1)ammonium (3+))
ITC DataΔG°: -21kJ/mole −TΔS°: 2.09kJ/mole ΔH°: -23kJ/mole logk: 4.80E+3
pH: 2.6 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: 0.984kJ/mole ΔH°: -21kJ/mole logk: 3.20E+3
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36206(Bicyclo[2.2.1]heptane-1-carboxylic acid (221))
ITC Data−TΔS°: 1.13kJ/mole ΔH°: -23kJ/mole logk: 7.00E+3
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36205(Bicyclo[2.2.2]octane-l-carboxylic acid (222))
ITC Data−TΔS°: -0.745kJ/mole ΔH°: -26kJ/mole logk: 5.00E+4
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36211(3-noradamantanecarboxylate (NAC))
ITC Data−TΔS°: -3.25kJ/mole ΔH°: -24.3kJ/mole logk: 7.00E+4
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: 0.388kJ/mole ΔH°: -31.5kJ/mole logk: 3.00E+5
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36108((R)-propranolol)
ITC DataΔG°: -11.8kJ/mole −TΔS°: 9.39kJ/mole ΔH°: -21.2kJ/mole logk: 115
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36095(L-phenylalanine methyl ester)
ITC DataΔG°: -6.20kJ/mole −TΔS°: -1.19kJ/mole ΔH°: -5kJ/mole logk: 12
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36094(D-phenylalanine methyl ester)
ITC DataΔG°: -5.90kJ/mole −TΔS°: -0.298kJ/mole ΔH°: -5.60kJ/mole logk: 11
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36088((S)-mandelic acid methyl ester)
ITC DataΔG°: -10.4kJ/mole −TΔS°: -2.00kJ/mole ΔH°: -8.44kJ/mole logk: 66
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36087((R)-mandelic acid methyl ester)
ITC DataΔG°: -10.2kJ/mole −TΔS°: -2.00kJ/mole ΔH°: -8.20kJ/mole logk: 60
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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)
University Of Miami

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)
University Of Miami

GuestPNGBDBM36040((1S,2R)-2-amino-1,2-diphenylethanol)
ITC DataΔG°: -9.5kJ/mole −TΔS°: 0.507kJ/mole ΔH°: -10kJ/mole logk: 46
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36039((1R,2S)-2-amino-1,2-diphenylethanol)
ITC DataΔG°: -9.90kJ/mole −TΔS°: 0.0894kJ/mole ΔH°: -10kJ/mole logk: 55
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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)
University Of Miami

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)
University Of Miami

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
ITC DataΔG°: -3.60kJ/mole −TΔS°: 9.80kJ/mole ΔH°: -13.4kJ/mole logk: 4.27
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36017((2-methoxyphenethyl)ammonium)
ITC DataΔG°: -5.15kJ/mole −TΔS°: 8.31kJ/mole ΔH°: -13.5kJ/mole logk: 7.90
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -7.59kJ/mole −TΔS°: -0.298kJ/mole ΔH°: -7.30kJ/mole logk: 21.4
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

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)
University Of Miami

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)
University Of Miami

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -7.43kJ/mole −TΔS°: -0.596kJ/mole ΔH°: -6.90kJ/mole logk: 20
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

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)
University Of Miami

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -7.70kJ/mole −TΔS°: 1.31kJ/mole ΔH°: -9kJ/mole logk: 22
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -3kJ/mole −TΔS°: 8.94kJ/mole ΔH°: -12kJ/mole logk: 3
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36259((ferrocenemethyl)trimethylamine, 3+ | alkyldimethy...)
ITC DataΔG°: -19.7kJ/mole −TΔS°: 8.79kJ/mole ΔH°: -28.5kJ/mole logk: 2.90E+3
pH: 5.5 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36260(alkyldimethyl(ferrocenylmethy1)ammonium (2+))
ITC DataΔG°: -19.3kJ/mole −TΔS°: 4.62kJ/mole ΔH°: -23.9kJ/mole logk: 2.50E+3
pH: 5.5 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36082(Gly-L-Phe)
ITC DataΔG°: -9.89kJ/mole −TΔS°: -1.31kJ/mole ΔH°: -8.59kJ/mole logk: 54
pH: 6.1 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36081(Gly-D-Phe)
ITC DataΔG°: -9.54kJ/mole −TΔS°: -1.61kJ/mole ΔH°: -7.93kJ/mole logk: 47
pH: 6.1 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM36262(alkyldimethyl(ferrocenylmethy1)ammonium (3))
ITC DataΔG°: -19.3kJ/mole −TΔS°: 6.29kJ/mole ΔH°: -25.5kJ/mole logk: 2.50E+3
pH: 6.5 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.2kJ/mole −TΔS°: -11.1kJ/mole ΔH°: -4.90kJ/mole logk: 771
pH: 6.9 T: 20.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.2kJ/mole −TΔS°: -9.54kJ/mole ΔH°: -6.70kJ/mole logk: 718
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.3kJ/mole −TΔS°: -9.84kJ/mole ΔH°: -6.60kJ/mole logk: 704
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.4kJ/mole −TΔS°: -9.84kJ/mole ΔH°: -6.5kJ/mole logk: 732
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.2kJ/mole −TΔS°: -9.54kJ/mole ΔH°: -6.70kJ/mole logk: 688
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.3kJ/mole −TΔS°: -9.84kJ/mole ΔH°: -6.60kJ/mole logk: 704
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Miami

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -16.5kJ/mole −TΔS°: -8.49kJ/mole ΔH°: -8.20kJ/mole logk: 687
pH: 6.9 T: 30.00°C 
In DepthDetails
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  • Change energy unit to:  kcal/mol