BDBM50111977 1-adamantanecarboxylate (AC)::Adamantane-1-carboxylic acid::CHEMBL170568

SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(O)=O

InChI Key InChIKey=JIMXXGFJRDUSRO-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 = 50111977   

HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: -0.926kcal/mole ΔH°: -4.85kcal/mole logk: 1.80E+4
pH: 8.5 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: -0.862kcal/mole ΔH°: -5.40kcal/mole logk: 4.00E+4
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
University Of Mississippi

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: 0.0926kcal/mole ΔH°: -7.53kcal/mole logk: 3.00E+5
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

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: 0.299kcal/mole ΔH°: -3.20kcal/mole logk: 140
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

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: -0.0926kcal/mole ΔH°: -3.10kcal/mole logk: 220
pH: 7.2 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

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: 0.328kcal/mole ΔH°: -3.20kcal/mole logk: 130
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

GuestPNGBDBM50111977(1-adamantanecarboxylate (AC) | Adamantane-1-carbox...)
ITC Data−TΔS°: 5.25kcal/mole ΔH°: -8.79kcal/mole logk: 420
pH: 4.05 T: 25.00°C 
In DepthDetails Article