BDBM36018 (3-methoxyphenethyl)ammonium

SMILES COc1cccc(CC[NH3+])c1

InChI Key InChIKey=WJBMRZAHTUFBGE-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 = 36018   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.57kcal/mole −TΔS°: 0.242kcal/mole ΔH°: -2.79kcal/mole logk: 75.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.48kcal/mole −TΔS°: 0.690kcal/mole ΔH°: -3.18kcal/mole logk: 66.1
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

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -1.68kcal/mole −TΔS°: 1.81kcal/mole ΔH°: -3.49kcal/mole logk: 17
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

GuestPNGBDBM36018((3-methoxyphenethyl)ammonium)
ITC DataΔG°: -1.85kcal/mole −TΔS°: 2.70kcal/mole ΔH°: -4.54kcal/mole logk: 22.4
pH: 6.9 T: 24.85°C 
In DepthDetails