BDBM36030 (4-methylphenethyl)ammonium

SMILES Cc1ccc(CC[NH3+])cc1

InChI Key InChIKey=VKJXAQYPOTYDLO-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 = 36030   

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

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -2.43kcal/mole −TΔS°: 1.50kcal/mole ΔH°: -3.94kcal/mole logk: 60.3
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

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -2.25kcal/mole −TΔS°: 1.07kcal/mole ΔH°: -3.32kcal/mole logk: 44.7
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -2.65kcal/mole −TΔS°: -1.02kcal/mole ΔH°: -1.63kcal/mole logk: 89.1
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36030((4-methylphenethyl)ammonium)
ITC DataΔG°: -2.56kcal/mole −TΔS°: -0.833kcal/mole ΔH°: -1.73kcal/mole logk: 74.1
pH: 5.0 T: 24.85°C 
In DepthDetails