BDBM36029 (1S,2S)-(+)-pseudoephedrine::PSEUDOEPHEDRINE

SMILES C[NH2+][C@@H](C)[C@@H](O)c1ccccc1

InChI Key InChIKey=KWGRBVOPPLSCSI-WCBMZHEXSA-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 = 36029   

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

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -1.77kcal/mole −TΔS°: 2.63kcal/mole ΔH°: -4.39kcal/mole logk: 20
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

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -1.59kcal/mole −TΔS°: 1.72kcal/mole ΔH°: -3.27kcal/mole logk: 14.8
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -2.71kcal/mole −TΔS°: 0.285kcal/mole ΔH°: -3.00kcal/mole logk: 96.6
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36029((1S,2S)-(+)-pseudoephedrine | PSEUDOEPHEDRINE)
ITC DataΔG°: -2.58kcal/mole −TΔS°: 0.335kcal/mole ΔH°: -2.92kcal/mole logk: 78.2
pH: 5.0 T: 24.85°C 
In DepthDetails