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Patent code US9303012

Compile Data Set for Download or QSAR

Found 304 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 1


(Homo sapiens (human))
BDBM221110
PNG
(US9303012, 36)
Show SMILES Cc1nnc(CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C(C)(C)C)o1
Show InChI InChI=1S/C21H27F2N5O3/c1-13-25-26-17(31-13)9-28(20(2,3)4)19(29)15-7-8-16(27-11-21(22,23)12-27)18(24-15)30-10-14-5-6-14/h7-8,14H,5-6,9-12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221114
PNG
(US9303012, 40)
Show SMILES Cn1nnnc1CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H27F2N7O2/c1-19(2,3)29(9-16-24-25-26-27(16)4)18(30)14-7-8-15(28-11-20(21,22)12-28)17(23-14)31-10-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221121
PNG
(US9303012, 47)
Show SMILES CC1(C)CCCN1C(=O)c1ccc(OCC2CC2)c(Cl)n1
Show InChI InChI=1S/C16H21ClN2O2/c1-16(2)8-3-9-19(16)15(20)12-6-7-13(14(17)18-12)21-10-11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221128
PNG
(US9303012, 54)
Show SMILES CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nn(C)cc1C
Show InChI InChI=1S/C19H23F2N5O2/c1-12-8-24(2)23-16(12)25(3)18(27)14-6-7-15(26-10-19(20,21)11-26)17(22-14)28-9-13-4-5-13/h6-8,13H,4-5,9-11H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221131
PNG
(US9303012, 57)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11CC1
Show InChI InChI=1S/C19H23F2N3O2/c20-19(21)11-23(12-19)15-5-4-14(22-16(15)26-10-13-2-3-13)17(25)24-9-1-6-18(24)7-8-18/h4-5,13H,1-3,6-12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221142
PNG
(US9303012, 68)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H21F2N3O3/c19-18(20)7-14(15(21)24)23(9-18)17(25)13-6-5-12(11-3-4-11)16(22-13)26-8-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,21,24)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221146
PNG
(US9303012, 72)
Show SMILES CC(C)(C)N(CCC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H28F2N4O3/c1-19(2,3)26(9-8-16(23)27)18(28)14-6-7-15(25-11-20(21,22)12-25)17(24-14)29-10-13-4-5-13/h6-7,13H,4-5,8-12H2,1-3H3,(H2,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221147
PNG
(US9303012, 73)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H23N3O3/c19-16(22)15-2-1-9-21(15)18(23)14-8-7-13(12-5-6-12)17(20-14)24-10-11-3-4-11/h7-8,11-12,15H,1-6,9-10H2,(H2,19,22)/t15-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221168
PNG
(US9303012, 94)
Show SMILES CC1(C)C[C@@H](N(C1)C(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C20H27N3O3/c1-20(2)9-16(17(21)24)23(11-20)19(25)15-8-7-14(13-5-6-13)18(22-15)26-10-12-3-4-12/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H2,21,24)/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221187
PNG
(US9303012, 113)
Show SMILES Fc1ccc(Cc2nc(ccc2C2CC2)C(=O)N2CCCC22CCNCC2)cc1
Show InChI InChI=1S/C24H28FN3O/c25-19-6-2-17(3-7-19)16-22-20(18-4-5-18)8-9-21(27-22)23(29)28-15-1-10-24(28)11-13-26-14-12-24/h2-3,6-9,18,26H,1,4-5,10-16H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221203
PNG
(US9303012, 129)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(c(OCC2CC2)n1)C1(O)CCC1
Show InChI InChI=1S/C19H23F2N3O4/c20-19(21)8-14(15(22)25)24(10-19)17(26)13-5-4-12(18(27)6-1-7-18)16(23-13)28-9-11-2-3-11/h4-5,11,14,27H,1-3,6-10H2,(H2,22,25)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221208
PNG
(US9303012, 134)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(c(OCC2CC2)n1)C1(F)COC1
Show InChI InChI=1S/C18H20F3N3O4/c19-17(8-27-9-17)11-3-4-12(23-15(11)28-6-10-1-2-10)16(26)24-7-18(20,21)5-13(24)14(22)25/h3-4,10,13H,1-2,5-9H2,(H2,22,25)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221224
PNG
(US9303012, 150)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CC(F)(C1)C1CC1
Show InChI InChI=1S/C19H22F3N3O2/c20-18(13-3-4-13)8-25(9-18)17(26)14-5-6-15(24-10-19(21,22)11-24)16(23-14)27-7-12-1-2-12/h5-6,12-13H,1-4,7-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221075
PNG
(US9303012, 1)
Show SMILES CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C18H25F2N3O2/c1-17(2,3)22(4)16(24)13-7-8-14(23-10-18(19,20)11-23)15(21-13)25-9-12-5-6-12/h7-8,12H,5-6,9-11H2,1-4H3
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n/an/an/an/a 4.60n/an/an/an/a



HOFFMAN-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))
BDBM221076
PNG
(US9303012, 2)
Show SMILES CN(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C15H19F2N3O2/c1-19(2)14(21)11-5-6-12(20-8-15(16,17)9-20)13(18-11)22-7-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
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n/an/an/an/a 297n/an/an/an/a



HOFFMAN-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))
BDBM221077
PNG
(US9303012, 3)
Show SMILES CN(C(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C18H26N2O2/c1-18(2,3)20(4)17(21)15-10-9-14(13-7-8-13)16(19-15)22-11-12-5-6-12/h9-10,12-13H,5-8,11H2,1-4H3
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n/an/an/an/a 7.20n/an/an/an/a



HOFFMAN-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))
BDBM221081
PNG
(US9303012, 7)
Show SMILES CCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C19H27F2N3O2/c1-5-24(18(2,3)4)17(25)14-8-9-15(23-11-19(20,21)12-23)16(22-14)26-10-13-6-7-13/h8-9,13H,5-7,10-12H2,1-4H3
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n/an/an/an/a 0.600n/an/an/an/a



HOFFMAN-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))
BDBM221083
PNG
(US9303012, 9)
Show SMILES COCC(C)(C)N(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H27F2N3O3/c1-18(2,12-26-4)23(3)17(25)14-7-8-15(24-10-19(20,21)11-24)16(22-14)27-9-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3
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n/an/an/an/a 3.80n/an/an/an/a



HOFFMAN-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))
BDBM221090
PNG
(US9303012, 16)
Show SMILES CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C18H20F5N3O2/c1-25(16(6-7-16)18(21,22)23)15(27)12-4-5-13(26-9-17(19,20)10-26)14(24-12)28-8-11-2-3-11/h4-5,11H,2-3,6-10H2,1H3
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n/an/an/an/a 8n/an/an/an/a



HOFFMAN-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))
BDBM221094
PNG
(US9303012, 20)
Show SMILES COCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H29F2N3O3/c1-19(2,3)25(9-10-27-4)18(26)15-7-8-16(24-12-20(21,22)13-24)17(23-15)28-11-14-5-6-14/h7-8,14H,5-6,9-13H2,1-4H3
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n/an/an/an/a 5.30n/an/an/an/a



HOFFMAN-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))
BDBM221102
PNG
(US9303012, 28)
Show SMILES CC1(C)N(CCNC1=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H24F2N4O3/c1-18(2)17(27)22-7-8-25(18)16(26)13-5-6-14(24-10-19(20,21)11-24)15(23-13)28-9-12-3-4-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,22,27)
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n/an/an/an/a 414n/an/an/an/a



HOFFMAN-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))
BDBM221140
PNG
(US9303012, 66)
Show SMILES CC1(C)CC(O)CCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H27F2N3O3/c1-19(2)9-14(26)7-8-25(19)18(27)15-5-6-16(24-11-20(21,22)12-24)17(23-15)28-10-13-3-4-13/h5-6,13-14,26H,3-4,7-12H2,1-2H3
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n/an/an/an/a 5.60n/an/an/an/a



HOFFMAN-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))
BDBM221165
PNG
(US9303012, 91)
Show SMILES NC(=O)[C@H]1CCCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25N3O3/c20-17(23)16-3-1-2-10-22(16)19(24)15-9-8-14(13-6-7-13)18(21-15)25-11-12-4-5-12/h8-9,12-13,16H,1-7,10-11H2,(H2,20,23)/t16-/m1/s1
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n/an/an/an/a 893n/an/an/an/a



HOFFMAN-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))
BDBM221166
PNG
(US9303012, 92)
Show SMILES NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25N3O3/c20-17(23)16-3-1-2-10-22(16)19(24)15-9-8-14(13-6-7-13)18(21-15)25-11-12-4-5-12/h8-9,12-13,16H,1-7,10-11H2,(H2,20,23)/t16-/m0/s1
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n/an/an/an/a 101n/an/an/an/a



HOFFMAN-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))
BDBM221185
PNG
(US9303012, 111)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1
Show InChI InChI=1S/C29H36FN3O3/c1-28(2,3)36-27(35)32-17-14-29(15-18-32)13-4-16-33(29)26(34)24-12-11-23(21-7-8-21)25(31-24)19-20-5-9-22(30)10-6-20/h5-6,9-12,21H,4,7-8,13-19H2,1-3H3
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n/an/an/an/a 8n/an/an/an/a



HOFFMAN-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))
BDBM221186
PNG
(US9303012, 112)
Show SMILES NC(=O)[C@@H]1CSCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H20F2N4O3S/c18-17(19)7-22(8-17)12-4-3-11(21-15(12)26-5-10-1-2-10)16(25)23-9-27-6-13(23)14(20)24/h3-4,10,13H,1-2,5-9H2,(H2,20,24)/t13-/m0/s1
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n/an/an/an/a 19.8n/an/an/an/a



HOFFMAN-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))
BDBM221197
PNG
(US9303012, 123)
Show SMILES NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H22FN3O3/c19-12-7-15(16(20)23)22(8-12)18(24)14-6-5-13(11-3-4-11)17(21-14)25-9-10-1-2-10/h5-6,10-12,15H,1-4,7-9H2,(H2,20,23)/t12-,15+/m1/s1
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n/an/an/an/a 58.4n/an/an/an/a



HOFFMAN-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))
BDBM221198
PNG
(US9303012, 124)
Show SMILES NC(=O)C1CS(=O)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H20F2N4O4S/c18-17(19)7-22(8-17)12-4-3-11(21-15(12)27-5-10-1-2-10)16(25)23-9-28(26)6-13(23)14(20)24/h3-4,10,13H,1-2,5-9H2,(H2,20,24)
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n/an/an/an/a 52.6n/an/an/an/a



HOFFMAN-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))
BDBM221216
PNG
(US9303012, 142)
Show SMILES OCC1(CCN(C1)C(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O3/c20-19(21,22)18(11-25)7-8-24(10-18)17(26)15-6-5-14(13-3-4-13)16(23-15)27-9-12-1-2-12/h5-6,12-13,25H,1-4,7-11H2
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n/an/an/an/a 26.3n/an/an/an/a



HOFFMAN-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))
BDBM221221
PNG
(US9303012, 147)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCCF)n1
Show InChI InChI=1S/C16H17F5N4O3/c17-3-4-28-13-10(24-6-16(20,21)7-24)2-1-9(23-13)14(27)25-8-15(18,19)5-11(25)12(22)26/h1-2,11H,3-8H2,(H2,22,26)/t11-/m0/s1
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n/an/an/an/a 1.17E+3n/an/an/an/a



HOFFMAN-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))
BDBM221076
PNG
(US9303012, 2)
Show SMILES CN(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C15H19F2N3O2/c1-19(2)14(21)11-5-6-12(20-8-15(16,17)9-20)13(18-11)22-7-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
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HOFFMAN-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))
BDBM221094
PNG
(US9303012, 20)
Show SMILES COCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H29F2N3O3/c1-19(2,3)25(9-10-27-4)18(26)15-7-8-16(24-12-20(21,22)13-24)17(23-15)28-11-14-5-6-14/h7-8,14H,5-6,9-13H2,1-4H3
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HOFFMAN-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))
BDBM221102
PNG
(US9303012, 28)
Show SMILES CC1(C)N(CCNC1=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H24F2N4O3/c1-18(2)17(27)22-7-8-25(18)16(26)13-5-6-14(24-10-19(20,21)11-24)15(23-13)28-9-12-3-4-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,22,27)
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HOFFMAN-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))
BDBM221112
PNG
(US9303012, 38)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11COC1
Show InChI InChI=1S/C19H23F2N3O3/c20-19(21)9-23(10-19)15-5-4-14(22-16(15)27-8-13-2-3-13)17(25)24-7-1-6-18(24)11-26-12-18/h4-5,13H,1-3,6-12H2
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HOFFMAN-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))
BDBM221113
PNG
(US9303012, 39)
Show SMILES CCN(CCOC)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25F2N3O3/c1-3-22(8-9-25-2)17(24)14-6-7-15(23-11-18(19,20)12-23)16(21-14)26-10-13-4-5-13/h6-7,13H,3-5,8-12H2,1-2H3
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HOFFMAN-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))
BDBM221124
PNG
(US9303012, 50)
Show SMILES CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C23H30F2N4O3/c1-15(30)27-10-8-18(9-11-27)29(17-4-5-17)22(31)19-6-7-20(28-13-23(24,25)14-28)21(26-19)32-12-16-2-3-16/h6-7,16-18H,2-5,8-14H2,1H3
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HOFFMAN-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))
BDBM221125
PNG
(US9303012, 51)
Show SMILES CN(C=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C15H17F2N3O3/c1-19(9-21)14(22)11-4-5-12(20-7-15(16,17)8-20)13(18-11)23-6-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
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HOFFMAN-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))
BDBM221137
PNG
(US9303012, 63)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1
Show InChI InChI=1S/C25H28F2N4O2/c26-25(27)15-30(16-25)22-9-8-21(28-23(22)33-14-18-6-7-18)24(32)31-13-19-10-20(31)12-29(19)11-17-4-2-1-3-5-17/h1-5,8-9,18-20H,6-7,10-16H2/t19-,20-/m0/s1
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HOFFMAN-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))
BDBM221140
PNG
(US9303012, 66)
Show SMILES CC1(C)CC(O)CCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H27F2N3O3/c1-19(2)9-14(26)7-8-25(19)18(27)15-5-6-16(24-11-20(21,22)12-24)17(23-15)28-10-13-3-4-13/h5-6,13-14,26H,3-4,7-12H2,1-2H3
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HOFFMAN-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))
BDBM221152
PNG
(US9303012, 78)
Show SMILES CC1(C)C[C@H](N(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C20H26F2N4O3/c1-19(2)7-15(16(23)27)26(9-19)18(28)13-5-6-14(25-10-20(21,22)11-25)17(24-13)29-8-12-3-4-12/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,23,27)/t15-/m0/s1
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HOFFMAN-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))
BDBM221153
PNG
(US9303012, 79)
Show SMILES NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H22F2N4O4/c19-18(20)8-23(9-18)13-4-3-12(22-16(13)28-7-10-1-2-10)17(27)24-6-11(25)5-14(24)15(21)26/h3-4,10-11,14,25H,1-2,5-9H2,(H2,21,26)/t11-,14-/m0/s1
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HOFFMAN-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))
BDBM221157
PNG
(US9303012, 83)
Show SMILES OC1COC2(CN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
Show InChI InChI=1S/C19H23F2N3O4/c20-19(21)10-23(11-19)15-4-3-14(22-16(15)27-6-12-1-2-12)17(26)24-8-18(9-24)5-13(25)7-28-18/h3-4,12-13,25H,1-2,5-11H2
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HOFFMAN-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))
BDBM221172
PNG
(US9303012, 98)
Show SMILES CC1(C)CC(N(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C20H26F2N4O3/c1-19(2)7-15(16(23)27)26(9-19)18(28)13-5-6-14(25-10-20(21,22)11-25)17(24-13)29-8-12-3-4-12/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,23,27)
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HOFFMAN-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))
BDBM221184
PNG
(US9303012, 110)
Show SMILES OC(=O)C1C2CN(CC12)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H21F2N3O4/c20-19(21)8-24(9-19)14-4-3-13(22-16(14)28-7-10-1-2-10)17(25)23-5-11-12(6-23)15(11)18(26)27/h3-4,10-12,15H,1-2,5-9H2,(H,26,27)
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HOFFMAN-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))
BDBM221188
PNG
(US9303012, 114)
Show SMILES NC(=O)C1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H22F2N4O3/c19-18(20)9-23(10-18)14-6-5-12(22-16(14)27-8-11-3-4-11)17(26)24-7-1-2-13(24)15(21)25/h5-6,11,13H,1-4,7-10H2,(H2,21,25)
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221189
PNG
(US9303012, 115)
Show SMILES NC(=O)[C@@H]1CS(=O)(=O)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H21N3O5S/c18-15(21)14-8-26(23,24)9-20(14)17(22)13-6-5-12(11-3-4-11)16(19-13)25-7-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,18,21)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221209
PNG
(US9303012, 135)
Show SMILES NC(=O)C1CC2(CC2)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H24F2N4O3/c21-20(22)10-25(11-20)14-4-3-13(24-17(14)29-8-12-1-2-12)18(28)26-9-19(5-6-19)7-15(26)16(23)27/h3-4,12,15H,1-2,5-11H2,(H2,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221217
PNG
(US9303012, 143)
Show SMILES OC1(CCN(C1)C(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O3/c19-18(20,21)17(25)7-8-23(10-17)16(24)14-6-5-13(12-3-4-12)15(22-14)26-9-11-1-2-11/h5-6,11-12,25H,1-4,7-10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221221
PNG
(US9303012, 147)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCCF)n1
Show InChI InChI=1S/C16H17F5N4O3/c17-3-4-28-13-10(24-6-16(20,21)7-24)2-1-9(23-13)14(27)25-8-15(18,19)5-11(25)12(22)26/h1-2,11H,3-8H2,(H2,22,26)/t11-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMAN-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))
BDBM221108
PNG
(US9303012, 34)
Show SMILES CC(C)C[C@@H](N(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnn1
Show InChI InChI=1S/C23H29F2N5O2/c1-15(2)11-20(17-5-4-10-26-28-17)29(3)22(31)18-8-9-19(30-13-23(24,25)14-30)21(27-18)32-12-16-6-7-16/h4-5,8-10,15-16,20H,6-7,11-14H2,1-3H3/t20-/m1/s1
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n/an/an/an/a 91.1n/an/an/an/a



HOFFMAN-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%