BDBM36021 (+/-)-norphenylephrine

SMILES [NH3+]CC(O)c1cccc(O)c1

InChI Key InChIKey=LRCXRAABFLIVAI-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 = 36021   

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

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -1.15kcal/mole −TΔS°: 2.63kcal/mole ΔH°: -3.82kcal/mole logk: 7.08
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

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -0.884kcal/mole −TΔS°: 3.10kcal/mole ΔH°: -4.06kcal/mole logk: 4.47
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -2.16kcal/mole −TΔS°: 2.17kcal/mole ΔH°: -4.35kcal/mole logk: 38.9
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36021((+/-)-norphenylephrine)
ITC DataΔG°: -2.07kcal/mole −TΔS°: 2.87kcal/mole ΔH°: -4.94kcal/mole logk: 32.4
pH: 5.0 T: 24.85°C 
In DepthDetails