BDBM36168 deoxycholate (DCA)

SMILES CC(CCC([O-])=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

InChI Key InChIKey=KXGVEGMKQFWNSR-XVSCORMQSA-M

Data  7 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 7 hits for monomerid = 36168   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC Data−TΔS°: 1.15kcal/mole ΔH°: -6.16kcal/mole logk: 4.84E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36166(L-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC Data−TΔS°: 3.08kcal/mole ΔH°: -7.67kcal/mole logk: 2.31E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36167(D-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC Data−TΔS°: 5.75kcal/mole ΔH°: -11.0kcal/mole logk: 6.77E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC DataΔG°: -5.02kcal/mole −TΔS°: 1.14kcal/mole ΔH°: -6.16kcal/mole logk: 4.84E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC DataΔG°: -5.30kcal/mole −TΔS°: 2.39kcal/mole ΔH°: -7.68kcal/mole logk: 7.71E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36171(mono(6-carboxymethylamino-6-deoxy)-beta-cyclodextr...)
Nankai University

GuestPNGBDBM36168(deoxycholate (DCA))
ITC DataΔG°: -4.92kcal/mole −TΔS°: 4.38kcal/mole ΔH°: -9.29kcal/mole logk: 4.03E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
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