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SMILES: OC1COC2(CCN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1

InChI Key: InChIKey=LILYBNFCYQONOO-UHFFFAOYSA-N

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 = 221156   
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))
BDBM221156
PNG
(US9303012, 82)
Show SMILES OC1COC2(CCN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
Show InChI InChI=1S/C20H25F2N3O4/c21-20(22)11-25(12-20)16-4-3-15(23-17(16)28-8-13-1-2-13)18(27)24-6-5-19(10-24)7-14(26)9-29-19/h3-4,13-14,26H,1-2,5-12H2
PDB

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KEGG

UniProtKB/SwissProt

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



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM221156
PNG
(US9303012, 82)
Show SMILES OC1COC2(CCN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
Show InChI InChI=1S/C20H25F2N3O4/c21-20(22)11-25(12-20)16-4-3-15(23-17(16)28-8-13-1-2-13)18(27)24-6-5-19(10-24)7-14(26)9-29-19/h3-4,13-14,26H,1-2,5-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 356n/an/an/a37



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair