BDBM36172 mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]-beta-cyclodextrin

SMILES [H][C@@](CC)(CO)NC[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](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=QHNMRGORAVHLFN-NWAZHFBNSA-N

Data  4 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 4 hits for monomerid = 36172   

HostPNGBDBM36172(mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]-...)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC DataΔG°: -5.41kcal/mole −TΔS°: 3.13kcal/mole ΔH°: -8.55kcal/mole logk: 9.38E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36172(mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]-...)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC DataΔG°: -5.76kcal/mole −TΔS°: 0.954kcal/mole ΔH°: -6.71kcal/mole logk: 1.69E+4
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36172(mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]-...)
Nankai University

GuestPNGBDBM36169(glycocholate (GCA))
ITC DataΔG°: -4.90kcal/mole −TΔS°: 1.01kcal/mole ΔH°: -5.91kcal/mole logk: 3.90E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36172(mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]-...)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC DataΔG°: -4.70kcal/mole −TΔS°: 0.164kcal/mole ΔH°: -4.87kcal/mole logk: 2.80E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article