BDBM36123 AB-TMA2-beta-cyclodextrin

SMILES [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]6([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O

InChI Key InChIKey=CSHLBWLJNBGXJR-IHHCOHTPSA-N

Data  8 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 8 hits for monomerid = 36123   

HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM50043820((R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -2.95kcal/mole −TΔS°: 1.64kcal/mole ΔH°: -4.59kcal/mole logk: 145
pH: 6.9 T: 25.00°C 
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -2.88kcal/mole −TΔS°: 1.64kcal/mole ΔH°: -4.56kcal/mole logk: 130
pH: 6.9 T: 25.00°C 
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36121(Z-D-Glu-L-Tyr)
ITC DataΔG°: -2.92kcal/mole −TΔS°: 0.335kcal/mole ΔH°: -3.25kcal/mole logk: 139
pH: 6.9 T: 25.00°C 
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36122(Z-L-Glu-L-Tyr)
ITC DataΔG°: -2.78kcal/mole −TΔS°: 0.691kcal/mole ΔH°: -3.46kcal/mole logk: 110
pH: 6.9 T: 25.00°C 
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36120(Cbz-L-Glu | Z-L-Glu)
ITC Data−TΔS°: -0.0498kcal/mole ΔH°: -3.05kcal/mole logk: 189
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36119(Cbz-D-Glu | Z-D-Glu)
ITC Data−TΔS°: -0.513kcal/mole ΔH°: -2.39kcal/mole logk: 135
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36137(Cbz-L-Asp)
ITC DataΔH°: -3.08kcal/mole logk: 181
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM36138(Cbz-D-Asp)
ITC Data−TΔS°: 0.0214kcal/mole ΔH°: -3.08kcal/mole logk: 176
pH: 6.9 T: 25.00°C 
In DepthDetails