BDBM36170 taurocholate (TCA)

SMILES CC(CCC(=O)NCCS([O-])(=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=WBWWGRHZICKQGZ-DWASRRROSA-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 = 36170   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC Data−TΔS°: 1.10kcal/mole ΔH°: -5.68kcal/mole logk: 2.29E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36166(L-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC Data−TΔS°: 1.39kcal/mole ΔH°: -5.52kcal/mole logk: 1.06E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36167(D-Trp-beta-Cyclodextrin)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC Data−TΔS°: 1.48kcal/mole ΔH°: -5.80kcal/mole logk: 1.47E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC DataΔG°: -4.58kcal/mole −TΔS°: 1.10kcal/mole ΔH°: -5.68kcal/mole logk: 2.29E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC DataΔG°: -4.59kcal/mole −TΔS°: 1.84kcal/mole ΔH°: -6.42kcal/mole logk: 2.31E+3
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM36171(mono(6-carboxymethylamino-6-deoxy)-beta-cyclodextr...)
Nankai University

GuestPNGBDBM36170(taurocholate (TCA))
ITC DataΔG°: -4.26kcal/mole −TΔS°: 3.57kcal/mole ΔH°: -7.82kcal/mole logk: 1.32E+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