BDBM36012 (2,5-dimethoxyphenethyl)ammonium

SMILES COc1ccc(OC)c(CC[NH3+])c1

InChI Key InChIKey=WNCUVUUEJZEATP-UHFFFAOYSA-O

Data  4 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 4 hits for monomerid = 36012   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -2.17kcal/mole −TΔS°: 0.0712kcal/mole ΔH°: -2.24kcal/mole logk: 38.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -2.14kcal/mole −TΔS°: 0.313kcal/mole ΔH°: -2.44kcal/mole logk: 37.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -2.10kcal/mole −TΔS°: 2.39kcal/mole ΔH°: -4.49kcal/mole logk: 34.7
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

GuestPNGBDBM36012((2,5-dimethoxyphenethyl)ammonium)
ITC DataΔG°: -1.95kcal/mole −TΔS°: 1.29kcal/mole ΔH°: -3.25kcal/mole logk: 26.9
pH: 5.0 T: 24.85°C 
In DepthDetails