BDBM36269 6-O-(4-nitrophenyl)-beta-cyclodextrin

SMILES OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O

InChI Key InChIKey=JRVCLZUPKNAGGD-UHFFFAOYSA-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 = 36269   

HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36176BDBM36176(cyclopentanol)
ITC DataΔG°: -3.91kcal/mole −TΔS°: -3.66kcal/mole ΔH°: -0.248kcal/mole logk: 834
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 5BDBM5(cyclohexanol-d12 | cyclohexanol)
ITC DataΔG°: -4.31kcal/mole −TΔS°: -3.49kcal/mole ΔH°: -0.822kcal/mole logk: 1.43E+3
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36178BDBM36178(cycloheptanol)
ITC DataΔG°: -5.04kcal/mole −TΔS°: -2.68kcal/mole ΔH°: -2.37kcal/mole logk: 5.03E+3
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36194BDBM36194(cyclooctanol)
ITC DataΔG°: -5.45kcal/mole −TΔS°: -2.32kcal/mole ΔH°: -3.13kcal/mole logk: 9.99E+3
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36263BDBM36263((+)-camphor)
ITC DataΔG°: -6.17kcal/mole −TΔS°: -3.68kcal/mole ΔH°: -2.49kcal/mole logk: 3.38E+4
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36264BDBM36264((-)-camphor)
ITC DataΔG°: -5.49kcal/mole −TΔS°: -1.80kcal/mole ΔH°: -3.69kcal/mole logk: 1.06E+4
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36265BDBM36265((+)-borneol)
ITC DataΔG°: -6.85kcal/mole −TΔS°: -2.82kcal/mole ΔH°: -4.04kcal/mole logk: 1.07E+5
pH: 7.2 T: 25.00°C 
HostChemical structure of BindingDB Monomer ID 36269BDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestChemical structure of BindingDB Monomer ID 36266BDBM36266((-)-borneol)
ITC DataΔG°: -6.39kcal/mole −TΔS°: -0.897kcal/mole ΔH°: -5.49kcal/mole logk: 5.05E+4
pH: 7.2 T: 25.00°C