BDBM36116 4-phenylbutylamine

SMILES [NH3+]CCCCc1ccccc1

InChI Key InChIKey=AGNFWIZBEATIAK-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 = 36116   

HostPNGBDBM11(betadex | beta-cyclodextrin)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.55kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -2.48kcal/mole logk: 405
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM36127(6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-be...)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.14kcal/mole −TΔS°: -0.833kcal/mole ΔH°: -2.32kcal/mole logk: 201
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(betadex | beta-cyclodextrin)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.55kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -2.48kcal/mole logk: 405
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(betadex | beta-cyclodextrin)
Japan Science and Technology Agency

GuestPNGBDBM36116(4-phenylbutylamine)
ITC DataΔG°: -3.65kcal/mole −TΔS°: -0.947kcal/mole ΔH°: -2.70kcal/mole logk: 474
pH: 6.9 T: 25.00°C