BDBM36148 1-naphthaleneacetate

SMILES [O-]C(=O)Cc1cccc2ccccc12

InChI Key InChIKey=PRPINYUDVPFIRX-UHFFFAOYSA-M

Data  2 ITC

PDB links: 4 PDB IDs match this monomer.

  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 2 hits for monomerid = 36148   

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

GuestPNGBDBM36148(1-naphthaleneacetate)
ITC DataΔG°: -4.01kcal/mole −TΔS°: -3.27kcal/mole ΔH°: -0.740kcal/mole logk: 871
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Himeji Institute Of Technology

GuestPNGBDBM36148(1-naphthaleneacetate)
ITC DataΔG°: -5.93kcal/mole −TΔS°: -4.82kcal/mole ΔH°: -1.11kcal/mole logk: 2.24E+4
pH: 7.2 T: 25.00°C 
In DepthDetails Article