BDBM6 CHEMBL18850::cyclohexanone

SMILES O=C1CCCCC1

InChI Key InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N

Data  1 IC50  2 ITC

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 6   

LigandPNGBDBM6(CHEMBL18850 | cyclohexanone)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 6   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute of Standards and Technology

GuestPNGBDBM6(CHEMBL18850 | cyclohexanone)
ITC DataΔG°: -1.84kcal/mole −TΔS°: 0.855kcal/mole ΔH°: -2.65kcal/mole logk: 22
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(betadex | beta-cyclodextrin)
National Institute of Standards and Technology

GuestPNGBDBM6(CHEMBL18850 | cyclohexanone)
ITC DataΔG°: -3.70kcal/mole −TΔS°: -0.926kcal/mole ΔH°: -2.79kcal/mole logk: 510
pH: 6.9 T: 25.00°C 
In DepthDetails