BDBM36252 mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin

SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(cc7)C(O)=O)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=FWSAKYZBGLWJGX-DBKPRUCDSA-N

Data  5 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 5 hits for monomerid = 36252   

HostPNGBDBM36252(mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36251(FC4+Br-)
ITC DataΔG°: -5.30kcal/mole −TΔS°: -1.20kcal/mole ΔH°: -4.09kcal/mole logk: 7.68E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36252(mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36253(FC8+Br-)
ITC DataΔG°: -5.41kcal/mole −TΔS°: -2.02kcal/mole ΔH°: -3.39kcal/mole logk: 9.33E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36252(mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36253(FC8+Br-)
ITC DataΔG°: -5.32kcal/mole −TΔS°: -1.82kcal/mole ΔH°: -3.50kcal/mole logk: 7.98E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36252(mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36253(FC8+Br-)
ITC DataΔG°: -5.15kcal/mole −TΔS°: -1.55kcal/mole ΔH°: -3.60kcal/mole logk: 6.06E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36252(mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36253(FC8+Br-)
ITC DataΔG°: -4.52kcal/mole −TΔS°: 0.292kcal/mole ΔH°: -4.81kcal/mole logk: 2.07E+3
pH: 7.2 T: 25.00°C