BDBM36270 6-O-(4-bromophenyl)-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(Br)cc7)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=CJNXGXZZZJEIEG-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 = 36270   

HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36176(cyclopentanol)
ITC DataΔG°: -3.55kcal/mole −TΔS°: -3.07kcal/mole ΔH°: -0.478kcal/mole logk: 362
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.38kcal/mole −TΔS°: -3.56kcal/mole ΔH°: -0.822kcal/mole logk: 1.63E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36178(cycloheptanol)
ITC DataΔG°: -5.28kcal/mole −TΔS°: -3.06kcal/mole ΔH°: -2.22kcal/mole logk: 7.45E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36194(cyclooctanol)
ITC DataΔG°: -5.73kcal/mole −TΔS°: -2.60kcal/mole ΔH°: -3.14kcal/mole logk: 1.61E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36263((+)-camphor)
ITC DataΔG°: -5.95kcal/mole −TΔS°: -2.64kcal/mole ΔH°: -3.31kcal/mole logk: 2.32E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36264((-)-camphor)
ITC DataΔG°: -5.54kcal/mole −TΔS°: -2.58kcal/mole ΔH°: -2.95kcal/mole logk: 1.14E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36265((+)-borneol)
ITC DataΔG°: -6.73kcal/mole −TΔS°: -1.01kcal/mole ΔH°: -5.73kcal/mole logk: 8.65E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36266((-)-borneol)
ITC DataΔG°: -6.77kcal/mole −TΔS°: -1.50kcal/mole ΔH°: -5.28kcal/mole logk: 9.24E+4
pH: 7.2 T: 25.00°C