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Patent code US9505762

Compile Data Set for Download or QSAR

Found 338 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))
BDBM259723
PNG
(US9505762, 91)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2ncn(Cc3cccnc3Cl)c2n1
Show InChI InChI=1S/C19H23ClN6O/c1-19(2,3)18-23-16(25-8-6-13(27)10-25)14-17(24-18)26(11-22-14)9-12-5-4-7-21-15(12)20/h4-5,7,11,13,27H,6,8-10H2,1-3H3/t13-/m0/s1
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n/an/an/an/a 1.70n/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))
BDBM259730
PNG
(US9505762, 98)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2ncn(Cc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C18H22F3N7O/c1-17(2,3)16-24-14(27-5-4-11(29)8-27)12-15(25-16)28(9-22-12)7-10-6-23-26-13(10)18(19,20)21/h6,9,11,29H,4-5,7-8H2,1-3H3,(H,23,26)/t11-/m0/s1
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n/an/an/an/a 22.3n/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))
BDBM259737
PNG
(US9505762, 105)
Show SMILES CC(C)(C)c1nc(N2CC(F)(F)C(F)(F)C2)c2ncn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C21H20F7N5/c1-18(2,3)17-30-15-14(16(31-17)33-9-19(22,23)20(24,25)10-33)29-11-32(15)8-12-6-4-5-7-13(12)21(26,27)28/h4-7,11H,8-10H2,1-3H3
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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))
BDBM259755
PNG
(US9505762, 123)
Show SMILES Cc1nonc1Cn1cnc2c(nc(NC(C)(C)C)nc12)N1CCC(C)(O)C1
Show InChI InChI=1S/C18H26N8O2/c1-11-12(24-28-23-11)8-26-10-19-13-14(25-7-6-18(5,27)9-25)20-16(21-15(13)26)22-17(2,3)4/h10,27H,6-9H2,1-5H3,(H,20,21,22)
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n/an/an/an/a 563n/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))
BDBM259761
PNG
(US9505762, 129)
Show SMILES Cn1nnnc1Cn1cnc2c(nc(OCC(C)(C)C)nc12)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H23F2N9O/c1-16(2,3)9-29-15-21-13(27-6-5-17(18,19)8-27)12-14(22-15)28(10-20-12)7-11-23-24-25-26(11)4/h10H,5-9H2,1-4H3
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n/an/an/an/a 95.6n/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))
BDBM259776
PNG
(US9505762, 144)
Show SMILES CN1CCN(CC1)c1nc(nc2n(Cc3nonc3C)cnc12)C(C)(C)C
Show InChI InChI=1S/C18H26N8O/c1-12-13(23-27-22-12)10-26-11-19-14-15(25-8-6-24(5)7-9-25)20-17(18(2,3)4)21-16(14)26/h11H,6-10H2,1-5H3
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n/an/an/an/a 211n/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))
BDBM259777
PNG
(US9505762, 145)
Show SMILES Cc1nonc1Cn1cnc2c(nc(nc12)C(C)(C)C)N1CCC[C@@H]1CO
Show InChI InChI=1S/C18H25N7O2/c1-11-13(23-27-22-11)8-24-10-19-14-15(24)20-17(18(2,3)4)21-16(14)25-7-5-6-12(25)9-26/h10,12,26H,5-9H2,1-4H3/t12-/m1/s1
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n/an/an/an/a 6.10n/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))
BDBM259789
PNG
(US9505762, 157)
Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C20H25ClN6O/c1-20(2,3)19-24-17-16(18(25-19)27-9-5-6-13(27)11-28)23-12-26(17)10-15-14(21)7-4-8-22-15/h4,7-8,12-13,28H,5-6,9-11H2,1-3H3/t13-/m1/s1
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n/an/an/an/a 4.30n/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))
BDBM259790
PNG
(US9505762, 158)
Show SMILES CCCn1nnnc1Cn1cnc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1
Show InChI InChI=1S/C18H27N9O/c1-5-7-27-13(22-23-24-27)10-26-11-19-14-15(25-8-6-12(28)9-25)20-17(18(2,3)4)21-16(14)26/h11-12,28H,5-10H2,1-4H3/t12-/m0/s1
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n/an/an/an/a 61.6n/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))
BDBM259799
PNG
(US9505762, 167)
Show SMILES CC(C)(C)c1nc(N2CC(O)(C2)C(F)(F)F)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C19H20ClF3N6O/c1-17(2,3)16-26-14-13(15(27-16)29-8-18(30,9-29)19(21,22)23)25-10-28(14)7-12-11(20)5-4-6-24-12/h4-6,10,30H,7-9H2,1-3H3
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n/an/an/an/a 35n/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))
BDBM259636
PNG
(US9505762, 4)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2ncn(Cc3ccc(F)cc3Cl)c2n1
Show InChI InChI=1S/C20H21ClF3N5/c1-19(2,3)18-26-16(28-7-6-20(23,24)10-28)15-17(27-18)29(11-25-15)9-12-4-5-13(22)8-14(12)21/h4-5,8,11H,6-7,9-10H2,1-3H3
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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))
BDBM259655
PNG
(US9505762, 23)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2ncn(CCc3cccnc3)c2n1
Show InChI InChI=1S/C20H24F2N6/c1-19(2,3)18-25-16(27-10-7-20(21,22)12-27)15-17(26-18)28(13-24-15)9-6-14-5-4-8-23-11-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3
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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))
BDBM259659
PNG
(US9505762, 27)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2ncn(C3CS(=O)(=O)C3)c2n1
Show InChI InChI=1S/C16H21F2N5O2S/c1-15(2,3)14-20-12(22-5-4-16(17,18)8-22)11-13(21-14)23(9-19-11)10-6-26(24,25)7-10/h9-10H,4-8H2,1-3H3
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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))
BDBM259681
PNG
(US9505762, 49)
Show SMILES CC(=O)N[C@H]1CCN(C1)c1nc(nc2n(Cc3cccc(Cl)c3)cnc12)C(C)(C)C
Show InChI InChI=1S/C22H27ClN6O/c1-14(30)25-17-8-9-28(12-17)19-18-20(27-21(26-19)22(2,3)4)29(13-24-18)11-15-6-5-7-16(23)10-15/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,25,30)/t17-/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))
BDBM259684
PNG
(US9505762, 52)
Show SMILES CC(=O)N[C@H]1CCN(C1)c1nc(nc2n(Cc3ccccc3S(C)(=O)=O)cnc12)C(C)(C)C
Show InChI InChI=1S/C23H30N6O3S/c1-15(30)25-17-10-11-28(13-17)20-19-21(27-22(26-20)23(2,3)4)29(14-24-19)12-16-8-6-7-9-18(16)33(5,31)32/h6-9,14,17H,10-13H2,1-5H3,(H,25,30)/t17-/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))
BDBM259697
PNG
(US9505762, 65)
Show SMILES CC(C)(C)c1nc(N2CCC(C)(O)C2)c2ncn(Cc3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C21H26ClN5O/c1-20(2,3)19-24-17(26-9-8-21(4,28)12-26)16-18(25-19)27(13-23-16)11-14-6-5-7-15(22)10-14/h5-7,10,13,28H,8-9,11-12H2,1-4H3
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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))
BDBM259701
PNG
(US9505762, 69)
Show SMILES CC(C)(C)c1nc(N2CCC(C)(O)C2)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C20H25ClN6O/c1-19(2,3)18-24-16(26-9-7-20(4,28)11-26)15-17(25-18)27(12-23-15)10-14-13(21)6-5-8-22-14/h5-6,8,12,28H,7,9-11H2,1-4H3
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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))
BDBM259713
PNG
(US9505762, 81)
Show SMILES Cn1nnnc1Cn1cnc2c(nc(nc12)C(C)(C)C)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C16H19F4N9/c1-14(2,3)13-22-11-10(21-8-28(11)5-9-24-25-26-27(9)4)12(23-13)29-6-15(17,18)16(19,20)7-29/h8H,5-7H2,1-4H3
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n/an/an/an/a 3.12E+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 1


(Homo sapiens (human))
BDBM259716
PNG
(US9505762, 84)
Show SMILES CC(C)(C)c1nc(N2CCC(C)(O)C2)c2ncn(Cc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H24F3N7O/c1-17(2,3)16-25-14(28-6-5-18(4,30)9-28)12-15(26-16)29(10-23-12)8-11-7-24-27-13(11)19(20,21)22/h7,10,30H,5-6,8-9H2,1-4H3,(H,24,27)
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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))
BDBM259730
PNG
(US9505762, 98)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2ncn(Cc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C18H22F3N7O/c1-17(2,3)16-24-14(27-5-4-11(29)8-27)12-15(25-16)28(9-22-12)7-10-6-23-26-13(10)18(19,20)21/h6,9,11,29H,4-5,7-8H2,1-3H3,(H,23,26)/t11-/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))
BDBM259740
PNG
(US9505762, 108)
Show SMILES CC(C)(C)Nc1nc(N2CCC(F)(F)C2)c2ncn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C21H23F5N6/c1-19(2,3)30-18-28-16(31-9-8-20(22,23)11-31)15-17(29-18)32(12-27-15)10-13-6-4-5-7-14(13)21(24,25)26/h4-7,12H,8-11H2,1-3H3,(H,28,29,30)
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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))
BDBM259741
PNG
(US9505762, 109)
Show SMILES Cc1nnc(Cn2cnc3c(nc(NC(C)(C)C)nc23)N2CCC(F)(F)C2)o1
Show InChI InChI=1S/C17H22F2N8O/c1-10-24-25-11(28-10)7-27-9-20-12-13(26-6-5-17(18,19)8-26)21-15(22-14(12)27)23-16(2,3)4/h9H,5-8H2,1-4H3,(H,21,22,23)
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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))
BDBM259744
PNG
(US9505762, 112)
Show SMILES CC(C)(C)Nc1nc(N2CCC(F)(F)C2)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C19H22ClF2N7/c1-18(2,3)27-17-25-15(28-8-6-19(21,22)10-28)14-16(26-17)29(11-24-14)9-13-12(20)5-4-7-23-13/h4-5,7,11H,6,8-10H2,1-3H3,(H,25,26,27)
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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))
BDBM259760
PNG
(US9505762, 128)
Show SMILES Cc1noc(Cn2cnc3c(nc(OCC(C)(C)C)nc23)N2CCC(F)(F)C2)n1
Show InChI InChI=1S/C18H23F2N7O2/c1-11-22-12(29-25-11)7-27-10-21-13-14(26-6-5-18(19,20)8-26)23-16(24-15(13)27)28-9-17(2,3)4/h10H,5-9H2,1-4H3
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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))
BDBM259766
PNG
(US9505762, 134)
Show SMILES CC(C)(C)COc1nc(N2CCC(C)(O)C2)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C21H27ClN6O2/c1-20(2,3)12-30-19-25-17(27-9-7-21(4,29)11-27)16-18(26-19)28(13-24-16)10-15-14(22)6-5-8-23-15/h5-6,8,13,29H,7,9-12H2,1-4H3
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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))
BDBM259767
PNG
(US9505762, 135)
Show SMILES Cc1nonc1Cn1cnc2c(nc(OCC(C)(C)C)nc12)N1CCC(C)(O)C1
Show InChI InChI=1S/C19H27N7O3/c1-12-13(24-29-23-12)8-26-11-20-14-15(25-7-6-19(5,27)9-25)21-17(22-16(14)26)28-10-18(2,3)4/h11,27H,6-10H2,1-5H3
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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))
BDBM259768
PNG
(US9505762, 136)
Show SMILES CC(C)(C)Nc1nc(N2CCC(C)(O)C2)c2ncn(Cc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H25F3N8O/c1-17(2,3)27-16-25-14(29-6-5-18(4,31)9-29)12-15(26-16)30(10-23-12)8-11-7-24-28-13(11)19(20,21)22/h7,10,31H,5-6,8-9H2,1-4H3,(H,24,28)(H,25,26,27)
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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))
BDBM259773
PNG
(US9505762, 141)
Show SMILES Cc1noc(Cn2cnc3c(nc(NC(C)(C)C)nc23)N2CC3(COC3)C2)n1
Show InChI InChI=1S/C18H24N8O2/c1-11-20-12(28-24-11)5-25-10-19-13-14(25)21-16(23-17(2,3)4)22-15(13)26-6-18(7-26)8-27-9-18/h10H,5-9H2,1-4H3,(H,21,22,23)
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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 2


(Homo sapiens (human))
BDBM259635
PNG
(US9505762, 3)
Show SMILES Cc1ccc(Cn2cnc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H25F2N5/c1-14-5-7-15(8-6-14)11-28-13-24-16-17(27-10-9-21(22,23)12-27)25-19(20(2,3)4)26-18(16)28/h5-8,13H,9-12H2,1-4H3
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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))
BDBM259641
PNG
(US9505762, 9)
Show SMILES CCn1cnc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C15H21F2N5/c1-5-21-9-18-10-11(21)19-13(14(2,3)4)20-12(10)22-7-6-15(16,17)8-22/h9H,5-8H2,1-4H3
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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))
BDBM259648
PNG
(US9505762, 16)
Show SMILES Cc1nonc1Cn1cnc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H21F2N7O/c1-10-11(24-27-23-10)7-26-9-20-12-13(25-6-5-17(18,19)8-25)21-15(16(2,3)4)22-14(12)26/h9H,5-8H2,1-4H3
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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))
BDBM259656
PNG
(US9505762, 24)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2ncn(CC(=O)c3ccccn3)c2n1
Show InChI InChI=1S/C20H22F2N6O/c1-19(2,3)18-25-16(27-9-7-20(21,22)11-27)15-17(26-18)28(12-24-15)10-14(29)13-6-4-5-8-23-13/h4-6,8,12H,7,9-11H2,1-3H3
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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))
BDBM259678
PNG
(US9505762, 46)
Show SMILES CC(C)(C)c1nc(N2CCC(O)C2)c2ncn(C3CCOC3)c2n1
Show InChI InChI=1S/C17H25N5O2/c1-17(2,3)16-19-14(21-6-4-12(23)8-21)13-15(20-16)22(10-18-13)11-5-7-24-9-11/h10-12,23H,4-9H2,1-3H3
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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))
BDBM259680
PNG
(US9505762, 48)
Show SMILES CC(=O)N[C@H]1CCN(C1)c1nc(nc2n(Cc3ccccc3Cl)cnc12)C(C)(C)C
Show InChI InChI=1S/C22H27ClN6O/c1-14(30)25-16-9-10-28(12-16)19-18-20(27-21(26-19)22(2,3)4)29(13-24-18)11-15-7-5-6-8-17(15)23/h5-8,13,16H,9-12H2,1-4H3,(H,25,30)/t16-/m0/s1
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n/an/an/an/a 127n/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))
BDBM259684
PNG
(US9505762, 52)
Show SMILES CC(=O)N[C@H]1CCN(C1)c1nc(nc2n(Cc3ccccc3S(C)(=O)=O)cnc12)C(C)(C)C
Show InChI InChI=1S/C23H30N6O3S/c1-15(30)25-17-10-11-28(13-17)20-19-21(27-22(26-20)23(2,3)4)29(14-24-19)12-16-8-6-7-9-18(16)33(5,31)32/h6-9,14,17H,10-13H2,1-5H3,(H,25,30)/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 2


(Homo sapiens (human))
BDBM259709
PNG
(US9505762, 77)
Show SMILES CC(=O)N[C@H]1CCN(C1)c1nc(nc2n(Cc3n[nH]cc3C(F)(F)F)cnc12)C(C)(C)C
Show InChI InChI=1S/C20H25F3N8O/c1-11(32)26-12-5-6-30(8-12)16-15-17(28-18(27-16)19(2,3)4)31(10-24-15)9-14-13(7-25-29-14)20(21,22)23/h7,10,12H,5-6,8-9H2,1-4H3,(H,25,29)(H,26,32)/t12-/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))
BDBM259714
PNG
(US9505762, 82)
Show SMILES Cc1nonc1Cn1cnc2c(nc(nc12)C(C)(C)C)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C17H19F4N7O/c1-9-10(26-29-25-9)5-27-8-22-11-12(27)23-14(15(2,3)4)24-13(11)28-6-16(18,19)17(20,21)7-28/h8H,5-7H2,1-4H3
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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))
BDBM259716
PNG
(US9505762, 84)
Show SMILES CC(C)(C)c1nc(N2CCC(C)(O)C2)c2ncn(Cc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H24F3N7O/c1-17(2,3)16-25-14(28-6-5-18(4,30)9-28)12-15(26-16)29(10-23-12)8-11-7-24-27-13(11)19(20,21)22/h7,10,30H,5-6,8-9H2,1-4H3,(H,24,27)
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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))
BDBM259717
PNG
(US9505762, 85)
Show SMILES CC(C)(C)c1nc(N2CCC(C)(O)C2)c2ncn(Cc3n[nH]cc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H24F3N7O/c1-17(2,3)16-25-14(28-6-5-18(4,30)9-28)13-15(26-16)29(10-23-13)8-12-11(7-24-27-12)19(20,21)22/h7,10,30H,5-6,8-9H2,1-4H3,(H,24,27)
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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))
BDBM259721
PNG
(US9505762, 89)
Show SMILES CC(C)(C)c1nc(N2CCC3(COC3)C2)c2ncn(CCC(F)(F)F)c2n1
Show InChI InChI=1S/C18H24F3N5O/c1-16(2,3)15-23-13(25-6-4-17(8-25)9-27-10-17)12-14(24-15)26(11-22-12)7-5-18(19,20)21/h11H,4-10H2,1-3H3
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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))
BDBM259722
PNG
(US9505762, 90)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2ncn(Cc3ccccc3S(C)(=O)=O)c2n1
Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)12-25)17-19(24-20)26(13-22-17)11-14-7-5-6-8-16(14)30(4,28)29/h5-8,13,15,27H,9-12H2,1-4H3/t15-/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))
BDBM259725
PNG
(US9505762, 93)
Show SMILES CC(C)(C)c1nc(N2CC(F)(F)C(F)(F)C2)c2ncn(CCC(F)(F)F)c2n1
Show InChI InChI=1S/C16H18F7N5/c1-13(2,3)12-25-10-9(24-8-27(10)5-4-16(21,22)23)11(26-12)28-6-14(17,18)15(19,20)7-28/h8H,4-7H2,1-3H3
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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))
BDBM259731
PNG
(US9505762, 99)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2ncn(CCC(F)(F)F)c2n1
Show InChI InChI=1S/C16H22F3N5O/c1-15(2,3)14-21-12(23-6-4-10(25)8-23)11-13(22-14)24(9-20-11)7-5-16(17,18)19/h9-10,25H,4-8H2,1-3H3/t10-/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))
BDBM259738
PNG
(US9505762, 106)
Show SMILES CC(C)(C)c1nc(N2CC(F)(F)C(F)(F)C2)c2ncn(Cc3ccccc3S(C)(=O)=O)c2n1
Show InChI InChI=1S/C21H23F4N5O2S/c1-19(2,3)18-27-16-15(17(28-18)30-10-20(22,23)21(24,25)11-30)26-12-29(16)9-13-7-5-6-8-14(13)33(4,31)32/h5-8,12H,9-11H2,1-4H3
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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))
BDBM259757
PNG
(US9505762, 125)
Show SMILES CC(C)(C)COc1nc(N2CCC(F)(F)C2)c2ncn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C22H24F5N5O/c1-20(2,3)12-33-19-29-17(31-9-8-21(23,24)11-31)16-18(30-19)32(13-28-16)10-14-6-4-5-7-15(14)22(25,26)27/h4-7,13H,8-12H2,1-3H3
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n/an/an/an/a 2.60n/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))
BDBM259758
PNG
(US9505762, 126)
Show SMILES CC(C)(C)COc1nc(N2CCC(F)(F)C2)c2ncn(Cc3ccccc3S(C)(=O)=O)c2n1
Show InChI InChI=1S/C22H27F2N5O3S/c1-21(2,3)13-32-20-26-18(28-10-9-22(23,24)12-28)17-19(27-20)29(14-25-17)11-15-7-5-6-8-16(15)33(4,30)31/h5-8,14H,9-13H2,1-4H3
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n/an/an/an/a 24.5n/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))
BDBM259766
PNG
(US9505762, 134)
Show SMILES CC(C)(C)COc1nc(N2CCC(C)(O)C2)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C21H27ClN6O2/c1-20(2,3)12-30-19-25-17(27-9-7-21(4,29)11-27)16-18(26-19)28(13-24-16)10-15-14(22)6-5-8-23-15/h5-6,8,13,29H,7,9-12H2,1-4H3
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n/an/an/an/a 178n/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))
BDBM259769
PNG
(US9505762, 137)
Show SMILES CC(C)(C)Nc1nc(N2CC3(COC3)C2)c2ncn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N6O/c1-20(2,3)29-19-27-17-16(18(28-19)31-9-21(10-31)11-32-12-21)26-13-30(17)8-14-6-4-5-7-15(14)22(23,24)25/h4-7,13H,8-12H2,1-3H3,(H,27,28,29)
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n/an/an/an/a 19.7n/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))
BDBM259797
PNG
(US9505762, 165)
Show SMILES CC(C)(C)c1nc(N2CCC(O)(C2)C(F)(F)F)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C20H22ClF3N6O/c1-18(2,3)17-27-15(29-8-6-19(31,10-29)20(22,23)24)14-16(28-17)30(11-26-14)9-13-12(21)5-4-7-25-13/h4-5,7,11,31H,6,8-10H2,1-3H3
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n/an/an/an/a 62.4n/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))
BDBM259800
PNG
(US9505762, 168)
Show SMILES CC(C)(C)c1nc(N2CCC3(CC3(F)F)C2)c2ncn(Cc3ncccc3Cl)c2n1
Show InChI InChI=1S/C21H23ClF2N6/c1-19(2,3)18-27-16(29-8-6-20(11-29)10-21(20,23)24)15-17(28-18)30(12-26-15)9-14-13(22)5-4-7-25-14/h4-5,7,12H,6,8-11H2,1-3H3
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n/an/an/an/a 32.4n/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
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* indicates data uncertainty>20%