BDBM36165 cholate (CA)

SMILES CC(CCC([O-])=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

InChI Key InChIKey=BHQCQFFYRZLCQQ-RAXHICHDSA-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 = 36165   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC Data−TΔS°: 0.577kcal/mole ΔH°: -5.49kcal/mole logk: 4.07E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36166(L-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC Data−TΔS°: 1.03kcal/mole ΔH°: -5.54kcal/mole logk: 2.02E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36167(D-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC Data−TΔS°: 3.46kcal/mole ΔH°: -9.05kcal/mole logk: 6.68E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC DataΔG°: -4.92kcal/mole −TΔS°: 0.570kcal/mole ΔH°: -5.49kcal/mole logk: 4.07E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC DataΔG°: -5.52kcal/mole −TΔS°: 0.584kcal/mole ΔH°: -6.10kcal/mole logk: 1.12E+4
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36171(mono(6-carboxymethylamino-6-deoxy)-beta-cyclodextr...)
Nankai University

GuestPNGBDBM36165(cholate (CA))
ITC DataΔG°: -5.02kcal/mole −TΔS°: 0.926kcal/mole ΔH°: -5.95kcal/mole logk: 4.83E+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