BDBM36133 3-methylphenylacetate::3-tolylacetic acid

SMILES Cc1cccc(CC([O-])=O)c1

InChI Key InChIKey=GJMPSRSMBJLKKB-UHFFFAOYSA-M

Data  2 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 2 hits for monomerid = 36133   

HostPNGBDBM36127(6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-be...)
Japan Science and Technology Agency

GuestPNGBDBM36133(3-methylphenylacetate | 3-tolylacetic acid)
ITC DataΔG°: -2.36kcal/mole −TΔS°: -0.491kcal/mole ΔH°: -1.87kcal/mole logk: 54
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(betadex | beta-cyclodextrin)
Nist

GuestPNGBDBM36133(3-methylphenylacetate | 3-tolylacetic acid)
ITC DataΔG°: -1.46kcal/mole −TΔS°: 1.29kcal/mole ΔH°: -2.75kcal/mole logk: 11.9
pH: 6.9 T: 25.00°C 
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