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Patent code US9339486

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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US Patent
1.80n/an/an/an/an/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Cell membrane homogenates (15 μg protein) were incubated for 120 min at 37 C. with 0.8 nM [3H]WIN 55212-2 (the reference standard [Munro, 1993 ...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Cell membrane homogenates (25 μg protein) were incubated for 120 min at 37 C. with 0.5 nM [3H]CP 55940 (the reference standard [Rinaldi-Carmona...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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422n/an/an/an/an/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Cell membrane homogenates (15 μg protein) were incubated for 120 min at 37 C. with 0.8 nM [3H]WIN 55212-2 (the reference standard [Munro, 1993 ...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Cell membrane homogenates (25 μg protein) were incubated for 120 min at 37 C. with 0.5 nM [3H]CP 55940 (the reference standard [Rinaldi-Carmona...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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n/an/an/an/a 9n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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n/an/an/an/a 6.5n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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n/an/an/an/a 128n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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n/an/an/an/a 21.7n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM227550
PNG
(US9339486, 2)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H27NO2/c1-23(15-17-8-4-2-5-9-17)16-26-21-14-18(12-13-20(21)23)22(25)24-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,24,25)
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n/an/an/an/a 479n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM227551
PNG
(US9339486, 5)
Show SMILES CC1(Cc2ccccc2)COc2ccc(cc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H27NO2/c1-23(15-17-8-4-2-5-9-17)16-26-21-13-12-18(14-20(21)23)22(25)24-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,24,25)
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n/an/an/an/a 409n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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n/an/an/an/a 1.13n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50335938
PNG
((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...)
Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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n/an/an/an/a 160n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
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n/an/an/an/a 0.140n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%