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SMILES: Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1

InChI Key: InChIKey=SDRWZARPOTZJEG-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 7 hits for monomerid = 242460   
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))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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US Patent
53 -10.1 106n/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))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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66 -9.95 132n/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))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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US Patent
68 -9.94 132n/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))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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US Patent
131 -9.54 215n/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))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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US Patent
822 -8.43 1.93E+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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

NCI pathway
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UniProtKB/SwissProt

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US Patent
3.27E+3 -7.60 5.95E+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