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SMILES: COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1

InChI Key: InChIKey=PXRZBSVMVTXTQV-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 9 hits for monomerid = 242431   
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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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19 -10.7 37n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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29 -10.4 56n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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29.2 -10.4 58.1n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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34 -10.4 76n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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US Patent
37 -10.3 68n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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260 -9.13 580n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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400 -8.87 720n/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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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1.16E+3 -8.23 2.00E+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))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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1.56E+3 -8.05 3.06E+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