BDBM36031 N-methylphenethylammonium

SMILES C[NH2+]CCc1ccccc1

InChI Key InChIKey=SASNBVQSOZSTPD-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 = 36031   

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

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -1.56kcal/mole −TΔS°: 1.29kcal/mole ΔH°: -2.82kcal/mole logk: 13.8
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

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -1.55kcal/mole −TΔS°: 1.99kcal/mole ΔH°: -3.53kcal/mole logk: 13.5
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -1.98kcal/mole −TΔS°: -0.477kcal/mole ΔH°: -1.50kcal/mole logk: 28.2
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36031(N-methylphenethylammonium)
ITC DataΔG°: -1.81kcal/mole −TΔS°: -0.0712kcal/mole ΔH°: -1.74kcal/mole logk: 21.4
pH: 5.0 T: 24.85°C 
In DepthDetails