BDBM36020 4-O-methyldopamine

SMILES COc1ccc(CC[NH3+])cc1O

InChI Key InChIKey=WJXQFVMTIGJBFX-UHFFFAOYSA-O

Data  3 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 3 hits for monomerid = 36020   

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

GuestPNGBDBM36020(4-O-methyldopamine)
ITC DataΔG°: -0.979kcal/mole −TΔS°: 1.42kcal/mole ΔH°: -2.39kcal/mole logk: 5.25
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36020(4-O-methyldopamine)
ITC DataΔG°: -2.56kcal/mole −TΔS°: 0.762kcal/mole ΔH°: -3.20kcal/mole logk: 60.4
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36020(4-O-methyldopamine)
ITC DataΔG°: -2.34kcal/mole −TΔS°: 1.32kcal/mole ΔH°: -3.65kcal/mole logk: 51.3
pH: 5.0 T: 24.85°C 
In DepthDetails