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Patent code US9409866

Compile Data Set for Download or QSAR

Found 620 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))
BDBM240298
PNG
(US9409866, 13)
Show SMILES CCC[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C15H21ClN2O3/c1-2-3-11(8-19)18-15(20)13-6-14(12(16)7-17-13)21-9-10-4-5-10/h6-7,10-11,19H,2-5,8-9H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/an/an/a 146n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240309
PNG
(US9409866, 24)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C(C)(C)C
Show InChI InChI=1S/C15H19ClF3N3O3/c1-14(2,3)11(13(24)20-4)22-12(23)9-5-10(8(16)6-21-9)25-7-15(17,18)19/h5-6,11H,7H2,1-4H3,(H,20,24)(H,22,23)/t11-/m1/s1
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n/an/an/an/a 9.80n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240320
PNG
(US9409866, 35)
Show SMILES CNC(=O)[C@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C17H24ClN3O3/c1-10(15(22)19-4)17(2,3)21-16(23)13-7-14(12(18)8-20-13)24-9-11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,22)(H,21,23)/t10-/m0/s1
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n/an/an/an/a 143n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240342
PNG
(US9409866, 57)
Show SMILES OC1(CNC(=O)c2cc(OCC3CC3)c(cn2)C2CC2)CCCCC1
Show InChI InChI=1S/C20H28N2O3/c23-19(22-13-20(24)8-2-1-3-9-20)17-10-18(25-12-14-4-5-14)16(11-21-17)15-6-7-15/h10-11,14-15,24H,1-9,12-13H2,(H,22,23)
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n/an/an/an/a 13n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240347
PNG
(US9409866, 62)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C1CC1
Show InChI InChI=1S/C16H16ClF3N4O3/c1-8-22-14(24-27-8)15(2,9-3-4-9)23-13(25)11-5-12(10(17)6-21-11)26-7-16(18,19)20/h5-6,9H,3-4,7H2,1-2H3,(H,23,25)
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n/an/an/an/a 8.90n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240352
PNG
(US9409866, 67)
Show SMILES Cc1nc(no1)[C@](C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C20H23F3N4O3/c1-11-25-18(27-30-11)19(2,8-12-3-4-12)26-17(28)15-7-16(29-10-20(21,22)23)14(9-24-15)13-5-6-13/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,26,28)/t19-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240353
PNG
(US9409866, 68 | US9409866, 69)
Show SMILES C[C@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m0/s1
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n/an/an/an/a 0.25n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240367
PNG
(US9409866, 82)
Show SMILES CC(C)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(N)=O
Show InChI InChI=1S/C18H24F3N3O3/c1-10(2)7-17(3,16(22)26)24-15(25)13-6-14(27-9-18(19,20)21)12(8-23-13)11-4-5-11/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,22,26)(H,24,25)
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n/an/an/an/a 80.5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240377
PNG
(US9409866, 92)
Show SMILES Cc1nc(no1)[C@](C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C20H22F5N5O3/c1-11-27-17(29-33-11)18(2,6-12-3-4-12)28-16(31)13-5-15(32-10-20(23,24)25)14(7-26-13)30-8-19(21,22)9-30/h5,7,12H,3-4,6,8-10H2,1-2H3,(H,28,31)/t18-/m0/s1
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n/an/an/an/a 21.4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240378
PNG
(US9409866, 93)
Show SMILES Cc1nc(no1)[C@@](C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1
Show InChI InChI=1S/C17H18ClF3N4O3/c1-9-23-15(25-28-9)16(2,6-10-3-4-10)24-14(26)12-5-13(11(18)7-22-12)27-8-17(19,20)21/h5,7,10H,3-4,6,8H2,1-2H3,(H,24,26)/t16-/m1/s1
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n/an/an/an/a 65.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240380
PNG
(US9409866, 95)
Show SMILES Cc1nc(no1)C(C)(CS(C)(=O)=O)NC(=O)c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C18H20F5N5O5S/c1-10-25-15(27-33-10)16(2,9-34(3,30)31)26-14(29)11-4-13(32-8-18(21,22)23)12(5-24-11)28-6-17(19,20)7-28/h4-5H,6-9H2,1-3H3,(H,26,29)
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n/an/an/an/a 55.4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240395
PNG
(US9409866, 110 | US9409866, 120 | US9409866, 121)
Show SMILES C[C@H](Oc1cc(ncc1C1CCC1)C(=O)NC(C)(CC1CC1)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N4O3/c1-12(22(23,24)25)31-18-9-17(26-11-16(18)15-5-4-6-15)19(30)28-21(3,10-14-7-8-14)20-27-13(2)32-29-20/h9,11-12,14-15H,4-8,10H2,1-3H3,(H,28,30)/t12-,21?/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240407
PNG
(US9409866, 122)
Show SMILES NC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H16F5N3O3/c17-15(18)4-11(13(22)25)24(6-15)14(26)10-3-12(27-7-16(19,20)21)9(5-23-10)8-1-2-8/h3,5,8,11H,1-2,4,6-7H2,(H2,22,25)/t11-/m1/s1
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n/an/an/an/a 399n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240413
PNG
(US9409866, 128)
Show SMILES Cc1nc(no1)C(C)(CN1CC(F)(F)C1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C20H22F5N5O3/c1-11-27-17(29-33-11)18(2,7-30-8-19(21,22)9-30)28-16(31)14-5-15(32-10-20(23,24)25)13(6-26-14)12-3-4-12/h5-6,12H,3-4,7-10H2,1-2H3,(H,28,31)
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n/an/an/an/a 65.3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240417
PNG
(US9409866, 132 | US9409866, 133)
Show SMILES Cc1nc(no1)C(C)(CS(C)(=O)=O)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1(F)COC1
Show InChI InChI=1S/C18H20F4N4O6S/c1-10-24-15(26-32-10)16(2,9-33(3,28)29)25-14(27)12-4-13(31-8-18(20,21)22)11(5-23-12)17(19)6-30-7-17/h4-5H,6-9H2,1-3H3,(H,25,27)
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n/an/an/an/a 333n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240419
PNG
(US9409866, 134)
Show SMILES CC(CS(C)(=O)=O)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(N)=O
Show InChI InChI=1S/C16H20F3N3O5S/c1-15(14(20)24,8-28(2,25)26)22-13(23)11-5-12(27-7-16(17,18)19)10(6-21-11)9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H2,20,24)(H,22,23)
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n/an/an/an/a 888n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240424
PNG
(US9409866, 139 | US9409866, 166 | US9409866, 167)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1(F)COC1)C1CC1
Show InChI InChI=1S/C19H20F4N4O4/c1-10-25-16(27-31-10)17(2,11-3-4-11)26-15(28)13-5-14(30-9-19(21,22)23)12(6-24-13)18(20)7-29-8-18/h5-6,11H,3-4,7-9H2,1-2H3,(H,26,28)
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n/an/an/an/a 0.600n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240430
PNG
(US9409866, 145 | US9409866, 154 | US9409866, 155)
Show SMILES Cc1nc(no1)C(C)(CC1CC1)NC(=O)c1cc(OCC(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C20H24F2N4O3/c1-11-24-19(26-29-11)20(2,8-12-3-4-12)25-18(27)15-7-16(28-10-17(21)22)14(9-23-15)13-5-6-13/h7,9,12-13,17H,3-6,8,10H2,1-2H3,(H,25,27)
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n/an/an/an/a 3.70n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240443
PNG
(US9409866, 158)
Show SMILES Cc1csc(n1)C(C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C21H24F3N3O2S/c1-12-10-30-19(26-12)20(2,8-13-3-4-13)27-18(28)16-7-17(29-11-21(22,23)24)15(9-25-16)14-5-6-14/h7,9-10,13-14H,3-6,8,11H2,1-2H3,(H,27,28)
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n/an/an/an/a 95.8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240445
PNG
(US9409866, 160)
Show SMILES NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H18F3N3O5S/c17-16(18,19)6-27-12-3-11(21-5-10(12)9-1-2-9)14(24)22-15(4-13(20)23)7-28(25,26)8-15/h3,5,9H,1-2,4,6-8H2,(H2,20,23)(H,22,24)
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n/an/an/an/a 11.8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240446
PNG
(US9409866, 161 | US9409866, 211 | US9409866, 212)
Show SMILES Cc1nc(no1)C(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23F3N4O3/c1-10-24-16(26-29-10)15(18(2,3)4)25-17(27)13-7-14(28-9-19(20,21)22)12(8-23-13)11-5-6-11/h7-8,11,15H,5-6,9H2,1-4H3,(H,25,27)
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n/an/an/an/a 8.80n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240447
PNG
(US9409866, 162)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)c1nn[nH]n1
Show InChI InChI=1S/C17H21F3N6O2/c1-16(2,3)13(14-23-25-26-24-14)22-15(27)11-6-12(28-8-17(18,19)20)10(7-21-11)9-4-5-9/h6-7,9,13H,4-5,8H2,1-3H3,(H,22,27)(H,23,24,25,26)
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n/an/an/an/a 71.7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240460
PNG
(US9409866, 175)
Show SMILES C[C@H](Oc1cc(ncc1C1(F)COC1)C(=O)NC(c1nnc(C)o1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C20H24F4N4O4/c1-10(20(22,23)24)31-14-6-13(25-7-12(14)19(21)8-30-9-19)16(29)26-15(18(3,4)5)17-28-27-11(2)32-17/h6-7,10,15H,8-9H2,1-5H3,(H,26,29)/t10-,15?/m0/s1
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n/an/an/an/a 95.5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240466
PNG
(US9409866, 181)
Show SMILES CN(C)C(=O)C(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)c1noc(C)n1
Show InChI InChI=1S/C19H22F3N5O4/c1-10-24-16(26-31-10)18(2,17(29)27(3)4)25-15(28)13-7-14(30-9-19(20,21)22)12(8-23-13)11-5-6-11/h7-8,11H,5-6,9H2,1-4H3,(H,25,28)
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240458
PNG
(US9409866, 173 | US9409866, 184 | US9409866, 185)
Show SMILES Cc1nnc(o1)C(C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C20H23F3N4O3/c1-11-26-27-18(30-11)19(2,8-12-3-4-12)25-17(28)15-7-16(29-10-20(21,22)23)14(9-24-15)13-5-6-13/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,25,28)
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n/an/an/an/a 30.2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240474
PNG
(US9409866, 189)
Show SMILES CNC(=O)C(C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C19H24F3N3O3/c1-18(17(27)23-2,8-11-3-4-11)25-16(26)14-7-15(28-10-19(20,21)22)13(9-24-14)12-5-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,23,27)(H,25,26)
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n/an/an/an/a 293n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240477
PNG
(US9409866, 192 | US9409866, 226 | US9409866, 227)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)c1noc(N)n1
Show InChI InChI=1S/C18H22F3N5O3/c1-17(2,3)13(14-25-16(22)29-26-14)24-15(27)11-6-12(28-8-18(19,20)21)10(7-23-11)9-4-5-9/h6-7,9,13H,4-5,8H2,1-3H3,(H,24,27)(H2,22,25,26)
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n/an/an/an/a 4.40n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240488
PNG
(US9409866, 203)
Show SMILES C[C@H](Oc1cc(ncc1C1CC1)C(=O)NC(C(=O)N1CC(F)(F)C1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H26F5N3O3/c1-11(21(24,25)26)32-15-7-14(27-8-13(15)12-5-6-12)17(30)28-16(19(2,3)4)18(31)29-9-20(22,23)10-29/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,28,30)/t11-,16?/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240507
PNG
(US9409866, 222)
Show SMILES NC(=O)CC1(COC1)NC(=O)c1cc(OCC2CC2)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C18H22F2N4O4/c19-18(20)7-24(8-18)13-5-22-12(3-14(13)28-6-11-1-2-11)16(26)23-17(4-15(21)25)9-27-10-17/h3,5,11H,1-2,4,6-10H2,(H2,21,25)(H,23,26)
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n/an/an/an/a 46.7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240514
PNG
(US9409866, 229 | US9409866, 241 | US9409866, 242)
Show SMILES CNC(=O)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C1CC1
Show InChI InChI=1S/C19H24F3N3O3/c1-18(12-5-6-12,8-16(26)23-2)25-17(27)14-7-15(28-10-19(20,21)22)13(9-24-14)11-3-4-11/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,23,26)(H,25,27)
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n/an/an/an/a 11.4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240514
PNG
(US9409866, 229 | US9409866, 241 | US9409866, 242)
Show SMILES CNC(=O)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C1CC1
Show InChI InChI=1S/C19H24F3N3O3/c1-18(12-5-6-12,8-16(26)23-2)25-17(27)14-7-15(28-10-19(20,21)22)13(9-24-14)11-3-4-11/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,23,26)(H,25,27)
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n/an/an/an/a 237n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240523
PNG
(US9409866, 238 | US9409866, 252 | US9409866, 253)
Show SMILES CNC(=O)C(NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(cn1)C1CC1)C(C)(C)O
Show InChI InChI=1S/C18H24F3N3O4/c1-9(18(19,20)21)28-13-7-12(23-8-11(13)10-5-6-10)15(25)24-14(16(26)22-4)17(2,3)27/h7-10,14,27H,5-6H2,1-4H3,(H,22,26)(H,24,25)/t9-,14?/m0/s1
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n/an/an/an/a 344n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240541
PNG
(US9409866, 256 | US9409866, 262 | US9409866, 263)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1)C(N)=O
Show InChI InChI=1S/C17H21F5N4O3/c1-15(2,3)12(13(23)27)25-14(28)9-4-11(29-8-17(20,21)22)10(5-24-9)26-6-16(18,19)7-26/h4-5,12H,6-8H2,1-3H3,(H2,23,27)(H,25,28)
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n/an/an/an/a 261n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240555
PNG
(US9409866, 270 | US9409866, 271)
Show SMILES CC(CC(N)=O)(NC(=O)c1cc(OCCF)c(cn1)C1CC1)C1CC1
Show InChI InChI=1S/C18H24FN3O3/c1-18(9-16(20)23,12-4-5-12)22-17(24)14-8-15(25-7-6-19)13(10-21-14)11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H2,20,23)(H,22,24)
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n/an/an/an/a 68.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240555
PNG
(US9409866, 270 | US9409866, 271)
Show SMILES CC(CC(N)=O)(NC(=O)c1cc(OCCF)c(cn1)C1CC1)C1CC1
Show InChI InChI=1S/C18H24FN3O3/c1-18(9-16(20)23,12-4-5-12)22-17(24)14-8-15(25-7-6-19)13(10-21-14)11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H2,20,23)(H,22,24)
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n/an/an/an/a 1.5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240562
PNG
(US9409866, 277)
Show SMILES C[C@H](Oc1cc(ncc1C1(F)COC1)C(=O)N[C@@](C)(CC(N)=O)C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H23F4N3O4/c1-10(19(21,22)23)30-14-5-13(25-7-12(14)18(20)8-29-9-18)16(28)26-17(2,6-15(24)27)11-3-4-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H2,24,27)(H,26,28)/t10-,17-/m0/s1
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n/an/an/an/a 43.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240572
PNG
(US9409866, 287 | US9409866, 288 | US9409866, 289 |...)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC(C)(CC1CC1)c1noc(C)n1
Show InChI InChI=1S/C21H27FN4O3/c1-12(10-22)28-18-8-17(23-11-16(18)15-6-7-15)19(27)25-21(3,9-14-4-5-14)20-24-13(2)29-26-20/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,25,27)
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n/an/an/an/a 0.800n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240578
PNG
(US9409866, 293 | US9409866, 294 | US9409866, 301 |...)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC(C)(CC(N)=O)C1CC1
Show InChI InChI=1S/C19H26FN3O3/c1-11(9-20)26-16-7-15(22-10-14(16)12-3-4-12)18(25)23-19(2,8-17(21)24)13-5-6-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,21,24)(H,23,25)
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240585
PNG
(US9409866, 300 | US9409866, 309 | US9409866, 310)
Show SMILES CC(CC(N)=O)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1(F)CCC1)C1CC1
Show InChI InChI=1S/C19H23F4N3O3/c1-17(8-15(24)27,11-3-4-11)26-16(28)13-7-14(29-10-19(21,22)23)12(9-25-13)18(20)5-2-6-18/h7,9,11H,2-6,8,10H2,1H3,(H2,24,27)(H,26,28)
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n/an/an/an/a 15.4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240305
PNG
(US9409866, 20)
Show SMILES OCC1(CNC(=O)c2cc(OCC3CC3)c(Cl)cn2)CCCC1
Show InChI InChI=1S/C17H23ClN2O3/c18-13-8-19-14(7-15(13)23-9-12-3-4-12)16(22)20-10-17(11-21)5-1-2-6-17/h7-8,12,21H,1-6,9-11H2,(H,20,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240312
PNG
(US9409866, 27)
Show SMILES CC(C)C[C@@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C17H25ClN2O3/c1-11(2)7-17(3,10-21)20-16(22)14-6-15(13(18)8-19-14)23-9-12-4-5-12/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,20,22)/t17-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240328
PNG
(US9409866, 43)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)c1nccs1
Show InChI InChI=1S/C21H27N3O2S/c1-21(2,3)18(20-22-8-9-27-20)24-19(25)16-10-17(26-12-13-4-5-13)15(11-23-16)14-6-7-14/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240330
PNG
(US9409866, 45)
Show SMILES CCC(CC)(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)C(=O)NC
Show InChI InChI=1S/C20H29N3O3/c1-4-20(5-2,19(25)21-3)23-18(24)16-10-17(26-12-13-6-7-13)15(11-22-16)14-8-9-14/h10-11,13-14H,4-9,12H2,1-3H3,(H,21,25)(H,23,24)
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US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240332
PNG
(US9409866, 47)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-11(2)7-15(18(20)23)22-19(24)16-8-17(25-10-12-3-4-12)14(9-21-16)13-5-6-13/h8-9,11-13,15H,3-7,10H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240343
PNG
(US9409866, 58)
Show SMILES CCC(O)CNC(=O)c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C17H24N2O3/c1-2-13(20)8-19-17(21)15-7-16(22-10-11-3-4-11)14(9-18-15)12-5-6-12/h7,9,11-13,20H,2-6,8,10H2,1H3,(H,19,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240347
PNG
(US9409866, 62)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C1CC1
Show InChI InChI=1S/C16H16ClF3N4O3/c1-8-22-14(24-27-8)15(2,9-3-4-9)23-13(25)11-5-12(10(17)6-21-11)26-7-16(18,19)20/h5-6,9H,3-4,7H2,1-2H3,(H,23,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240351
PNG
(US9409866, 66)
Show SMILES Cc1nc(no1)C(C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C20H23F3N4O3/c1-11-25-18(27-30-11)19(2,8-12-3-4-12)26-17(28)15-7-16(29-10-20(21,22)23)14(9-24-15)13-5-6-13/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240361
PNG
(US9409866, 76)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C14H13F5N2O2/c15-13(16)5-21(6-13)12(22)10-3-11(23-7-14(17,18)19)9(4-20-10)8-1-2-8/h3-4,8H,1-2,5-7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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


(Homo sapiens (human))
BDBM240366
PNG
(US9409866, 81)
Show SMILES C[C@H](Oc1cc(ncc1Cl)C(=O)NC(C)(CS(C)(=O)=O)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1S/C16H18ClF3N4O5S/c1-8(16(18,19)20)28-12-5-11(21-6-10(12)17)13(25)23-15(3,7-30(4,26)27)14-22-9(2)29-24-14/h5-6,8H,7H2,1-4H3,(H,23,25)/t8-,15?/m0/s1
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n/an/an/an/a 190n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


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