BDBM36088 (S)-mandelic acid methyl ester

SMILES COC(=O)[C@@H](O)c1ccccc1

InChI Key InChIKey=ITATYELQCJRCCK-QMMMGPOBSA-N

Data  3 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 3 hits for monomerid = 36088   

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

GuestPNGBDBM36088((S)-mandelic acid methyl ester)
ITC DataΔG°: -2.53kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -1.96kcal/mole logk: 72
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM36088((S)-mandelic acid methyl ester)
ITC DataΔG°: -2.48kcal/mole −TΔS°: -0.477kcal/mole ΔH°: -2.02kcal/mole logk: 66
pH: 4.8 T: 25.00°C 
In DepthDetails
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36088((S)-mandelic acid methyl ester)
ITC DataΔG°: -2.22kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -1.65kcal/mole logk: 42
pH: 6.9 T: 25.00°C