BDBM36026 3-phenylpropionate::3-phenylpropionic acid

SMILES [O-]C(=O)CCc1ccccc1

InChI Key InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M

Data  10 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 10 hits for monomerid = 36026   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -2.04kcal/mole −TΔS°: 1.65kcal/mole ΔH°: -3.70kcal/mole logk: 32
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -2.93kcal/mole −TΔS°: -1.12kcal/mole ΔH°: -1.82kcal/mole logk: 141
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.33kcal/mole −TΔS°: -1.50kcal/mole ΔH°: -1.84kcal/mole logk: 278
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.01kcal/mole −TΔS°: -1.36kcal/mole ΔH°: -1.65kcal/mole logk: 162
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -2.79kcal/mole −TΔS°: -1.64kcal/mole ΔH°: -1.14kcal/mole logk: 132
pH: 6.9 T: 14.50°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -2.97kcal/mole −TΔS°: -1.22kcal/mole ΔH°: -1.75kcal/mole logk: 149
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.04kcal/mole −TΔS°: -0.677kcal/mole ΔH°: -2.36kcal/mole logk: 144
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.11kcal/mole −TΔS°: -0.129kcal/mole ΔH°: -2.99kcal/mole logk: 137
pH: 6.9 T: 45.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.01kcal/mole −TΔS°: -1.36kcal/mole ΔH°: -1.65kcal/mole logk: 162
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -1.30kcal/mole ΔH°: -1.79kcal/mole logk: 183
pH: 6.9 T: 25.00°C