BDBM36027 (3-phenylpropyl)ammonium

SMILES [NH3+]CCCc1ccccc1

InChI Key InChIKey=LYUQWQRTDLVQGA-UHFFFAOYSA-O

Data  4 ITC

PDB links: 4 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 4 hits for monomerid = 36027   

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

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -1.87kcal/mole −TΔS°: 2.13kcal/mole ΔH°: -4.01kcal/mole logk: 23.4
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

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -1.82kcal/mole −TΔS°: 1.99kcal/mole ΔH°: -3.80kcal/mole logk: 21.9
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -2.77kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -2.20kcal/mole logk: 110
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36027((3-phenylpropyl)ammonium)
ITC DataΔG°: -2.70kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -2.25kcal/mole logk: 95.5
pH: 5.0 T: 24.85°C 
In DepthDetails