BDBM36207 Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene)

SMILES OC(=O)C12CCC(C1)C=C2

InChI Key InChIKey=LMJVDYDHTWAXDL-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 36207   

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

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: -0.655kcal/mole ΔH°: -2.39kcal/mole logk: 180
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: 2.06kcal/mole ΔH°: -5.02kcal/mole logk: 150
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: -1.94kcal/mole ΔH°: -1.80kcal/mole logk: 560
pH: 8.5 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: -2.54kcal/mole ΔH°: -1.80kcal/mole logk: 430
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: 0.235kcal/mole ΔH°: -5.02kcal/mole logk: 3.20E+3
pH: 4.05 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC Data−TΔS°: 0.150kcal/mole ΔH°: -2.39kcal/mole logk: 24
pH: 8.5 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Mississippi

GuestPNGBDBM36207(Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene))
ITC DataΔH°: -2.01kcal/mole logk: 30
pH: 7.2 T: 25.00°C 
In DepthDetails Article