BDBM36124 AC-TMA2-beta-cyclodextrin

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

InChI Key InChIKey=HQXAADHKLGPAQZ-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 = 36124   

HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM50043820((R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -3.16kcal/mole −TΔS°: 1.55kcal/mole ΔH°: -4.71kcal/mole logk: 206
pH: 6.9 T: 25.00°C 
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -3.16kcal/mole −TΔS°: 1.50kcal/mole ΔH°: -4.66kcal/mole logk: 207
pH: 6.9 T: 25.00°C 
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36121(Z-D-Glu-L-Tyr)
ITC DataΔG°: -2.99kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -3.13kcal/mole logk: 157
pH: 6.9 T: 25.00°C 
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36122(Z-L-Glu-L-Tyr)
ITC DataΔG°: -2.85kcal/mole −TΔS°: 0.385kcal/mole ΔH°: -3.22kcal/mole logk: 123
pH: 6.9 T: 25.00°C 
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36120(Cbz-L-Glu | Z-L-Glu)
ITC Data−TΔS°: -0.762kcal/mole ΔH°: -2.13kcal/mole logk: 133
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36119(Cbz-D-Glu | Z-D-Glu)
ITC Data−TΔS°: -1.17kcal/mole ΔH°: -1.64kcal/mole logk: 113
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36137(Cbz-L-Asp)
ITC Data−TΔS°: -0.669kcal/mole ΔH°: -2.26kcal/mole logk: 141
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute Of Technology

GuestPNGBDBM36138(Cbz-D-Asp)
ITC Data−TΔS°: -0.762kcal/mole ΔH°: -2.13kcal/mole logk: 134
pH: 6.9 T: 25.00°C 
In DepthDetails