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BDBM240345 US9409866, 60

SMILES: CC(C)(O)CNC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1

InChI Key: InChIKey=QZCOKVPMPZYWSF-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 240345   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM240345
PNG
(US9409866, 60)
Show SMILES CC(C)(O)CNC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C15H19F3N2O3/c1-14(2,22)7-20-13(21)11-5-12(23-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9,22H,3-4,7-8H2,1-2H3,(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240345
PNG
(US9409866, 60)
Show SMILES CC(C)(O)CNC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C15H19F3N2O3/c1-14(2,22)7-20-13(21)11-5-12(23-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9,22H,3-4,7-8H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 481n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair