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BDBM242480 US9422235, 58

SMILES: FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CC1

InChI Key: InChIKey=FJHVEQHZHSLVPQ-UHFFFAOYSA-N

Data: 3 KI  3 IC50

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 3 hits for monomerid = 242480   
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 2


(Homo sapiens (Human))
BDBM242480
PNG
(US9422235, 58)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
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PC cid
PC sid
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US Patent
12.2 -11.0 20n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM242480
PNG
(US9422235, 58)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
PDB

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antibodypedia
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PC sid
UniChem
US Patent
239 -9.18 497n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM242480
PNG
(US9422235, 58)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
2.72E+3 -7.71 4.75E+3n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair