BDBM36019 (4-methoxyphenethyl)ammonium

SMILES COc1ccc(CC[NH3+])cc1

InChI Key InChIKey=LTPVSOCPYWDIFU-UHFFFAOYSA-O

Data  4 ITC

PDB links: 1 PDB ID matches 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 = 36019   

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

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.02kcal/mole −TΔS°: 1.57kcal/mole ΔH°: -3.58kcal/mole logk: 30.2
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.68kcal/mole −TΔS°: -0.762kcal/mole ΔH°: -1.93kcal/mole logk: 93.3
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.57kcal/mole −TΔS°: -0.619kcal/mole ΔH°: -1.96kcal/mole logk: 77.6
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

GuestPNGBDBM36019((4-methoxyphenethyl)ammonium)
ITC DataΔG°: -2.24kcal/mole −TΔS°: 2.48kcal/mole ΔH°: -4.73kcal/mole logk: 44.2
pH: 6.9 T: 24.85°C 
In DepthDetails