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SMILES: FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1

InChI Key: InChIKey=VVDBGAGVTDFSCQ-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 4 hits for monomerid = 242509   
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))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
PDB

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PC cid
PC sid
UniChem
US Patent
79 -9.84 135n/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 2


(Homo sapiens (Human))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
80 -9.84 143n/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 2


(Homo sapiens (Human))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
318 -9.01 547n/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))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.00E+3 -7.66 6.00E+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