BDBM36013 (3,4-dimethoxyphenethyl)ammonium

SMILES COc1ccc(CC[NH3+])cc1OC

InChI Key InChIKey=ANOUKFYBOAKOIR-UHFFFAOYSA-O

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 = 36013   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36013((3,4-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -1.56kcal/mole −TΔS°: -1.07kcal/mole ΔH°: -0.478kcal/mole logk: 13.8
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36013((3,4-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -1.22kcal/mole −TΔS°: 0.932kcal/mole ΔH°: -2.15kcal/mole logk: 7.90
pH: 6.9 T: 24.85°C 
In DepthDetails