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Patent code US9290451

Compile Data Set for Download or QSAR

Found 758 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))		BDBM210601
PNG
(US9290451, 292)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C17H21F2N3O4S/c18-17(19)9-22(10-17)14-4-3-13(21-16(14)26-7-11-1-2-11)15(23)20-12-5-6-27(24,25)8-12/h3-4,11-12H,1-2,5-10H2,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210626
PNG
(US9290451, 309)
Show SMILES CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nc(N)no1
Show InChI InChI=1S/C18H23N5O3/c1-18(2,16-21-17(19)23-26-16)22-14(24)13-8-7-12(11-5-6-11)15(20-13)25-9-10-3-4-10/h7-8,10-11H,3-6,9H2,1-2H3,(H2,19,23)(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210632
PNG
(US9290451, 311)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1 |r|
Show InChI InChI=1S/C22H28F4N4O3/c1-13(2)7-16(20(32)30-11-22(25,26)12-30)27-18(31)15-5-6-17(29-9-21(23,24)10-29)19(28-15)33-8-14-3-4-14/h5-6,13-14,16H,3-4,7-12H2,1-2H3,(H,27,31)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210638
PNG
(US9290451, 314)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC[C@@H](O)C(F)(F)F)n1)C(=O)NC |r|
Show InChI InChI=1S/C20H28F3N3O4/c1-4-19(5-2,18(29)24-3)26-16(28)14-9-8-13(12-6-7-12)17(25-14)30-11-10-15(27)20(21,22)23/h8-9,12,15,27H,4-7,10-11H2,1-3H3,(H,24,29)(H,26,28)/t15-/m1/s1
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n/an/an/an/a 1.26E+3n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210650
PNG
(US9290451, 321)
Show SMILES CC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnn1
Show InChI InChI=1S/C22H27F2N5O2/c1-14(2)10-18(16-4-3-9-25-28-16)26-20(30)17-7-8-19(29-12-22(23,24)13-29)21(27-17)31-11-15-5-6-15/h3-4,7-9,14-15,18H,5-6,10-13H2,1-2H3,(H,26,30)
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210656
PNG
(US9290451, 324)
Show SMILES Cc1nc(no1)[C@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CC1 |r|
Show InChI InChI=1S/C21H26N4O3/c1-12-22-20(25-28-12)21(2,15-7-8-15)24-18(26)17-10-9-16(14-5-6-14)19(23-17)27-11-13-3-4-13/h9-10,13-15H,3-8,11H2,1-2H3,(H,24,26)/t21-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210660
PNG
(US9290451, 328)
Show SMILES NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H22FN3O3/c22-15-7-5-14(6-8-15)18(19(23)26)25-20(27)17-10-9-16(13-3-4-13)21(24-17)28-11-12-1-2-12/h5-10,12-13,18H,1-4,11H2,(H2,23,26)(H,25,27)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210705
PNG
(US9290451, 352)
Show SMILES CC(C)CS(=O)(=O)c1nc(ccc1C1CC1)C(=O)N[C@@H](CC1CC1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-12(2)11-30(27,28)21-16(15-6-7-15)8-9-17(24-21)20(26)23-18(10-14-4-5-14)19-22-13(3)29-25-19/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3,(H,23,26)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210710
PNG
(US9290451, 357)
Show SMILES Cc1nc(no1)[C@](C)(CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C22H28N4O3/c1-13-23-21(26-29-13)22(2,11-14-3-4-14)25-19(27)18-10-9-17(16-7-8-16)20(24-18)28-12-15-5-6-15/h9-10,14-16H,3-8,11-12H2,1-2H3,(H,25,27)/t22-/m0/s1
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n/an/an/an/a 199n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210718
PNG
(US9290451, 360)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(n1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C21H32N2O5S/c1-6-21(7-2,20(25)28-8-3)23-18(24)17-12-11-16(15-9-10-15)19(22-17)29(26,27)13-14(4)5/h11-12,14-15H,6-10,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 88.5n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210720
PNG
(US9290451, 362)
Show SMILES O=C(N[C@H]1CCOC1=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H20N2O4/c20-15(18-14-7-8-22-17(14)21)13-6-5-12(11-3-4-11)16(19-13)23-9-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H,18,20)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210730
PNG
(US9290451, 372)
Show SMILES CC(C)CN(NC(=O)c1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O
Show InChI InChI=1S/C17H23F3N4O3/c1-9(2)8-24(16(21)26)23-14(25)13-7-6-12(11-4-5-11)15(22-13)27-10(3)17(18,19)20/h6-7,9-11H,4-5,8H2,1-3H3,(H2,21,26)(H,23,25)
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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210127
PNG
(US9290451, 1)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cccc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN2O3/c1-17(2,16(22)23-3)20-15(21)14-9-5-8-13(19-14)11-6-4-7-12(18)10-11/h4-10H,1-3H3,(H,20,21)
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n/an/an/an/a 68.5n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210173
PNG
(US9290451, 21)
Show SMILES Clc1cccc(c1)-c1cccc(n1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C17H17ClN2O2/c18-13-4-1-3-12(11-13)15-5-2-6-16(20-15)17(21)19-14-7-9-22-10-8-14/h1-6,11,14H,7-10H2,(H,19,21)
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n/an/an/an/a 220n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210204
PNG
(US9290451, 34)
Show SMILES CC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1nccs1
Show InChI InChI=1S/C21H27N3O3S/c1-21(2,20-22-9-12-28-20)24-18(25)17-6-5-16(15-7-10-26-11-8-15)19(23-17)27-13-14-3-4-14/h5-6,9,12,14-15H,3-4,7-8,10-11,13H2,1-2H3,(H,24,25)
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n/an/an/an/a 53.7n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210249
PNG
(US9290451, 51)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(C)c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-11-8-9-15(22-16(11)13-6-5-7-14(20)10-13)17(25)23-19(3,4)18-21-12(2)26-24-18/h5-10H,1-4H3,(H,23,25)
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n/an/an/an/a 127n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210278
PNG
(US9290451, 67)
Show SMILES CNC(=O)C(C)(C)NC(=O)c1ccc(C2CC2)c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-20(2,19(26)22-3)24-18(25)16-10-9-15(12-7-8-12)17(23-16)13-5-4-6-14(21)11-13/h4-6,9-12H,7-8H2,1-3H3,(H,22,26)(H,24,25)
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n/an/an/an/a 797n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210340
PNG
(US9290451, 103)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C19H24F2N4O3/c20-19(21)9-25(10-19)15-6-5-13(24-18(15)28-8-12-3-4-12)17(27)23-14(16(22)26)7-11-1-2-11/h5-6,11-12,14H,1-4,7-10H2,(H2,22,26)(H,23,27)/t14-/m0/s1
PDB

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n/an/an/an/a 7n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210352
PNG
(US9290451, 110)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(Br)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C16H20BrN3O3/c17-11-5-6-12(20-16(11)23-8-10-3-4-10)15(22)19-13(14(18)21)7-9-1-2-9/h5-6,9-10,13H,1-4,7-8H2,(H2,18,21)(H,19,22)/t13-/m0/s1
PDB

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n/an/an/an/a 224n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210367
PNG
(US9290451, 117)
Show SMILES COCCOCC(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H30N2O4/c1-20(2,13-25-11-10-24-3)22-18(23)17-9-8-16(15-6-7-15)19(21-17)26-12-14-4-5-14/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,22,23)
PDB

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n/an/an/an/a 350n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210383
PNG
(US9290451, 131)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C19H28N4O4/c1-11(2)7-15(17(20)25)21-18(26)14-5-6-16(23-8-13(24)9-23)19(22-14)27-10-12-3-4-12/h5-6,11-13,15,24H,3-4,7-10H2,1-2H3,(H2,20,25)(H,21,26)/t15-/m0/s1
PDB

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n/an/an/an/a 78.4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210388
PNG
(US9290451, 134)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C19H28N4O3/c1-11(2)9-16(17(20)24)22-18(25)14-7-8-15(21-13-5-6-13)19(23-14)26-10-12-3-4-12/h7-8,11-13,16,21H,3-6,9-10H2,1-2H3,(H2,20,24)(H,22,25)/t16-/m0/s1
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n/an/an/an/a 5.10n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210392
PNG
(US9290451, 135)
Show SMILES CC(C)(O)[C@H](CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H29F2N3O3/c1-20(2,28)17(9-13-3-4-13)25-18(27)15-7-8-16(26-11-21(22,23)12-26)19(24-15)29-10-14-5-6-14/h7-8,13-14,17,28H,3-6,9-12H2,1-2H3,(H,25,27)/t17-/m0/s1
PDB

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n/an/an/an/a 38.2n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210410
PNG
(US9290451, 144)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc2CCC(C)(C)Cc2n1
Show InChI InChI=1S/C18H24N4O2/c1-11-19-16(22-24-11)18(4,5)21-15(23)13-7-6-12-8-9-17(2,3)10-14(12)20-13/h6-7H,8-10H2,1-5H3,(H,21,23)
PDB

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n/an/an/an/a 22.8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210419
PNG
(US9290451, 152)
Show SMILES COCCOCC(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClF2N3O3/c1-21(2,14-31-10-9-30-3)27-20(29)17-7-8-18(28-12-22(24,25)13-28)19(26-17)15-5-4-6-16(23)11-15/h4-8,11H,9-10,12-14H2,1-3H3,(H,27,29)
PDB

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n/an/an/an/a 442n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210438
PNG
(US9290451, 159)
Show SMILES CC(C)(CO)NC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H25N3O3/c1-17(2,10-21)20-15(22)13-7-8-14(18-12-5-6-12)16(19-13)23-9-11-3-4-11/h7-8,11-12,18,21H,3-6,9-10H2,1-2H3,(H,20,22)
PDB

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n/an/an/an/a 781n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210444
PNG
(US9290451, 162)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(N(CC(F)(F)F)CC(F)(F)F)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H24F6N4O3/c21-19(22,23)9-30(10-20(24,25)26)15-6-5-13(29-18(15)33-8-12-3-4-12)17(32)28-14(16(27)31)7-11-1-2-11/h5-6,11-12,14H,1-4,7-10H2,(H2,27,31)(H,28,32)/t14-/m0/s1
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n/an/an/an/a 54.4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210474
PNG
(US9290451, 188)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(Br)c(OCC2CCCO2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C18H26BrN3O4/c1-18(2,3)14(16(24)20-4)22-15(23)13-8-7-12(19)17(21-13)26-10-11-6-5-9-25-11/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,20,24)(H,22,23)/t11?,14-/m1/s1
PDB

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n/an/an/an/a 5n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210493
PNG
(US9290451, 205)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-13(2)12-17(18(23)20-3)22-19(24)16-11-7-10-15(21-16)14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3,(H,20,23)(H,22,24)/t17-/m0/s1
PDB

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n/an/an/an/a 57.8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210499
PNG
(US9290451, 211)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(n1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N3O2/c1-12(2)10-17(18(27)24-3)26-19(28)16-9-5-8-15(25-16)13-6-4-7-14(11-13)20(21,22)23/h4-9,11-12,17H,10H2,1-3H3,(H,24,27)(H,26,28)/t17-/m0/s1
PDB

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n/an/an/an/a 57.1n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210516
PNG
(US9290451, 226)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27N3O3/c1-26(2)23(28)20(17-6-4-3-5-7-17)25-21(27)19-13-12-18(16-10-11-16)22(24-19)29-14-15-8-9-15/h3-7,12-13,15-16,20H,8-11,14H2,1-2H3,(H,25,27)/t20-/m0/s1
PDB

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n/an/an/an/a 19.9n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210517
PNG
(US9290451, 227)
Show SMILES CN(C)C(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27N3O3/c1-26(2)23(28)20(17-6-4-3-5-7-17)25-21(27)19-13-12-18(16-10-11-16)22(24-19)29-14-15-8-9-15/h3-7,12-13,15-16,20H,8-11,14H2,1-2H3,(H,25,27)/t20-/m1/s1
PDB

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n/an/an/an/a 40.8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210518
PNG
(US9290451, 228)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O3/c1-18(2,3)9-14(15(26)23-4)24-16(27)13-8-7-12(19(20,21)22)17(25-13)28-10-11-5-6-11/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,23,26)(H,24,27)/t14-/m0/s1
PDB

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n/an/an/an/a 16.8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210543
PNG
(US9290451, 248)
Show SMILES O=C(N[C@@H](C#N)C1CC1)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H21N3O2/c19-9-16(13-5-6-13)20-17(22)15-8-7-14(12-3-4-12)18(21-15)23-10-11-1-2-11/h7-8,11-13,16H,1-6,10H2,(H,20,22)/t16-/m0/s1
PDB

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n/an/an/an/a 51n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210555
PNG
(US9290451, 256)
Show SMILES CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H28F2N4O3/c1-26(2)20(29)16(9-13-3-4-13)24-18(28)15-7-8-17(27-11-21(22,23)12-27)19(25-15)30-10-14-5-6-14/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,24,28)/t16-/m0/s1
PDB

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n/an/an/an/a 9.30n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210557
PNG
(US9290451, 258)
Show SMILES COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H26N2O4/c1-25-20(24)17(10-12-2-3-12)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,21,23)/t17-/m0/s1
PDB

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n/an/an/an/a 7.10n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210558
PNG
(US9290451, 259)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F)C(=O)NC
Show InChI InChI=1S/C18H24F3N3O3/c1-4-17(5-2,16(26)22-3)24-14(25)13-9-8-12(18(19,20)21)15(23-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,22,26)(H,24,25)
PDB

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n/an/an/an/a 5.10n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210560
PNG
(US9290451, 260)
Show SMILES Cc1nc(no1)[C@@H](NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1)C1CC1 |r|
Show InChI InChI=1S/C19H16ClFN4O2/c1-10-22-18(25-27-10)17(11-5-6-11)24-19(26)16-4-2-3-15(23-16)12-7-8-14(21)13(20)9-12/h2-4,7-9,11,17H,5-6H2,1H3,(H,24,26)/t17-/m0/s1
PDB

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n/an/an/an/a 24.9n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210589
PNG
(US9290451, 282)
Show SMILES FC(F)(F)COc1nc(ccc1Br)C(=O)NC1(COC1)c1nccs1
Show InChI InChI=1S/C14H11BrF3N3O3S/c15-8-1-2-9(20-11(8)24-7-14(16,17)18)10(22)21-13(5-23-6-13)12-19-3-4-25-12/h1-4H,5-7H2,(H,21,22)
PDB

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n/an/an/an/a 368n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210594
PNG
(US9290451, 286)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1S/C21H26FN3O2/c1-21(2,3)13-18(19(26)23-4)25-20(27)17-7-5-6-16(24-17)12-14-8-10-15(22)11-9-14/h5-11,18H,12-13H2,1-4H3,(H,23,26)(H,25,27)/t18-/m0/s1
PDB

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n/an/an/an/a 8.20n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210613
PNG
(US9290451, 300)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C20H21F5N4O3/c1-10-26-16(29-32-10)15(8-11-2-3-11)27-17(30)14-7-6-13(12-4-5-12)18(28-14)31-9-19(21,22)20(23,24)25/h6-7,11-12,15H,2-5,8-9H2,1H3,(H,27,30)/t15-/m0/s1
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n/an/an/an/a 31.8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210620
PNG
(US9290451, 306)
Show SMILES CC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1
Show InChI InChI=1S/C19H22F3N3O2S/c1-18(2,3)14(17-23-8-9-28-17)25-15(26)13-7-6-12(11-4-5-11)16(24-13)27-10-19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26)
PDB

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n/an/an/an/a 138n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210667
PNG
(US9290451, 333)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(O)=O
Show InChI InChI=1S/C22H25FN2O3/c1-3-22(4-2,21(27)28)25-20(26)18-12-11-17(15-7-8-15)19(24-18)13-14-5-9-16(23)10-6-14/h5-6,9-12,15H,3-4,7-8,13H2,1-2H3,(H,25,26)(H,27,28)
PDB

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n/an/an/an/a 8n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210680
PNG
(US9290451, 340)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-12-24-19(27-31-12)20(2,14-5-6-14)26-17(29)15-7-8-16(28-10-21(22,23)11-28)18(25-15)30-9-13-3-4-13/h7-8,13-14H,3-6,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 5.70n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210702
PNG
(US9290451, 351)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(n1)S(=O)(=O)CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C19H29N3O4S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)27(25,26)10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
PDB

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n/an/an/an/a 39.9n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210722
PNG
(US9290451, 364)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(n1)S(=O)(=O)CC(C)C)C(C)C |r|
Show InChI InChI=1S/C19H29N3O4S/c1-11(2)10-27(25,26)19-14(13-6-7-13)8-9-15(21-19)17(23)22-16(12(3)4)18(24)20-5/h8-9,11-13,16H,6-7,10H2,1-5H3,(H,20,24)(H,22,23)/t16-/m0/s1
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n/an/an/an/a 12.9n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210735
PNG
(US9290451, 375)
Show SMILES NC(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CC1 |r|
Show InChI InChI=1S/C18H23N3O3/c19-16(22)15(12-5-6-12)21-17(23)14-8-7-13(11-3-4-11)18(20-14)24-9-10-1-2-10/h7-8,10-12,15H,1-6,9H2,(H2,19,22)(H,21,23)/t15-/m1/s1
PDB

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n/an/an/an/a 358n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM210743
PNG
(US9290451, 381)
Show SMILES CC(C)CS(=O)(=O)c1nc(ccc1C1CC1)C(=O)N[C@](C)(C1CC1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-12(2)11-30(27,28)19-16(14-5-6-14)9-10-17(23-19)18(26)24-21(4,15-7-8-15)20-22-13(3)29-25-20/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)/t21-/m1/s1
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n/an/an/an/a 11.4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210154
PNG
(US9290451, 10)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C21H28N4O4/c1-13-22-20(25-29-13)21(2,3)24-18(26)17-7-6-16(15-8-10-27-11-9-15)19(23-17)28-12-14-4-5-14/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,24,26)
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210165
PNG
(US9290451, 16)
Show SMILES O=C(N1CCSCC1)c1ccc(N2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25N3O2S/c22-18(21-9-11-24-12-10-21)15-5-6-16(20-7-1-2-8-20)17(19-15)23-13-14-3-4-14/h5-6,14H,1-4,7-13H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



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...

US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%