BDBM36023 2-phenylethylamine::Phenethylamine::phenethylammonium

SMILES [NH3+]CCc1ccccc1

InChI Key InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O

Data  9 ITC

PDB links: 18 PDB IDs match this monomer.

  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 9 hits for monomerid = 36023   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.53kcal/mole −TΔS°: 1.65kcal/mole ΔH°: -3.18kcal/mole logk: 13.2
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

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.44kcal/mole −TΔS°: 1.72kcal/mole ΔH°: -3.15kcal/mole logk: 11
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.89kcal/mole −TΔS°: -0.356kcal/mole ΔH°: -1.53kcal/mole logk: 24
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.77kcal/mole −TΔS°: -0.142kcal/mole ΔH°: -1.65kcal/mole logk: 20
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.89kcal/mole −TΔS°: -0.356kcal/mole ΔH°: -1.53kcal/mole logk: 24
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.98kcal/mole −TΔS°: -0.385kcal/mole ΔH°: -1.60kcal/mole logk: 28.5
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.89kcal/mole −TΔS°: -0.356kcal/mole ΔH°: -1.54kcal/mole logk: 24
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -1.99kcal/mole −TΔS°: 0.125kcal/mole ΔH°: -2.11kcal/mole logk: 26
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36023(2-phenylethylamine | Phenethylamine | phenethylamm...)
ITC DataΔG°: -2.06kcal/mole −TΔS°: 0.669kcal/mole ΔH°: -2.71kcal/mole logk: 26
pH: 6.9 T: 45.00°C