BDBM36098 (R)-3-phenylbutyric acid::3-Phenylbutyrate

SMILES C[C@H](CC([O-])=O)c1ccccc1

InChI Key InChIKey=ZZEWMYILWXCRHZ-MRVPVSSYSA-M

Data  6 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 6 hits for monomerid = 36098   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.55kcal/mole −TΔS°: -1.49kcal/mole ΔH°: -2.06kcal/mole logk: 402
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.59kcal/mole −TΔS°: -1.57kcal/mole ΔH°: -2.01kcal/mole logk: 428
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.42kcal/mole −TΔS°: -1.96kcal/mole ΔH°: -1.46kcal/mole logk: 395
pH: 6.9 T: 14.50°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.53kcal/mole −TΔS°: -1.34kcal/mole ΔH°: -2.19kcal/mole logk: 387
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.61kcal/mole −TΔS°: -0.773kcal/mole ΔH°: -2.86kcal/mole logk: 364
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.65kcal/mole −TΔS°: -0.0988kcal/mole ΔH°: -3.56kcal/mole logk: 323
pH: 6.9 T: 45.00°C