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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 2


(Homo sapiens (Human))		BDBM210526
PNG
(US9290451, 233)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(=O)OC
Show InChI InChI=1S/C21H30N2O5/c1-4-21(5-2,20(25)26-3)23-18(24)17-11-10-16(14-8-9-14)19(22-17)28-13-15-7-6-12-27-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24)
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n/an/an/an/a 0.100n/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))		BDBM210658
PNG
(US9290451, 326)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1S/C22H24FN3O2/c23-16-7-3-14(4-8-16)11-19-17(15-5-6-15)9-10-18(25-19)22(28)26-20(21(24)27)12-13-1-2-13/h3-4,7-10,13,15,20H,1-2,5-6,11-12H2,(H2,24,27)(H,26,28)/t20-/m0/s1
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n/an/an/an/a 0.200n/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))		BDBM210533
PNG
(US9290451, 238)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CCOCC2)n1)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C20H27F3N2O5/c1-4-19(5-2,18(27)28-3)25-16(26)15-7-6-14(20(21,22)23)17(24-15)30-12-13-8-10-29-11-9-13/h6-7,13H,4-5,8-12H2,1-3H3,(H,25,26)
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n/an/an/an/a 0.400n/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))		BDBM210452
PNG
(US9290451, 168)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C20H29N3O3/c1-20(2,3)16(18(25)21-4)23-17(24)15-10-9-14(13-7-8-13)19(22-15)26-11-12-5-6-12/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1
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n/an/an/an/a 0.600n/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))		BDBM210429
PNG
(US9290451, 155)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(N)=O |r|
Show InChI InChI=1S/C22H26FN3O2/c1-13(2)11-20(21(24)27)26-22(28)18-10-9-17(15-5-6-15)19(25-18)12-14-3-7-16(23)8-4-14/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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n/an/an/an/a 0.700n/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))		BDBM210384
PNG
(US9290451, 132)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C19H26F2N4O3/c1-11(2)7-14(16(22)26)23-17(27)13-5-6-15(25-9-19(20,21)10-25)18(24-13)28-8-12-3-4-12/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,22,26)(H,23,27)/t14-/m0/s1
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n/an/an/an/a 0.800n/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))		BDBM210655
PNG
(US9290451, 323)
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-/m0/s1
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n/an/an/an/a 0.900n/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))		BDBM210659
PNG
(US9290451, 327)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30)/t22-/m0/s1
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n/an/an/an/a 1.10n/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))		BDBM210534
PNG
(US9290451, 239)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C20H28N2O4/c1-20(2,3)16(19(24)25-4)22-17(23)15-10-9-14(13-7-8-13)18(21-15)26-11-12-5-6-12/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,22,23)/t16-/m1/s1
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n/an/an/an/a 1.10n/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))		BDBM210471
PNG
(US9290451, 186)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(N)=O |r|
Show InChI InChI=1S/C20H29N3O4/c1-12(2)10-17(18(21)24)22-19(25)16-8-7-15(13-5-6-13)20(23-16)27-11-14-4-3-9-26-14/h7-8,12-14,17H,3-6,9-11H2,1-2H3,(H2,21,24)(H,22,25)/t14?,17-/m0/s1
PDB

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n/an/an/an/a 1.10n/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))		BDBM210331
PNG
(US9290451, 100)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C19H27N3O3/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12-3-4-12/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H2,20,23)(H,21,24)/t16-/m0/s1
PDB

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n/an/an/an/a 1.20n/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))		BDBM210537
PNG
(US9290451, 242)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H28N4O3/c1-12(2)10-18(19-22-13(3)28-25-19)23-20(26)17-9-8-16(15-6-7-15)21(24-17)27-11-14-4-5-14/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 1.20n/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))		BDBM210571
PNG
(US9290451, 270)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H28N2O4/c1-12(2)10-17(20(24)25-3)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,4-7,10-11H2,1-3H3,(H,21,23)/t17-/m0/s1
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n/an/an/an/a 1.30n/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))		BDBM210466
PNG
(US9290451, 181)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-12(2)10-17(18(24)21-3)22-19(25)16-9-8-15(14-6-7-14)20(23-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
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n/an/an/an/a 1.30n/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))		BDBM210598
PNG
(US9290451, 289)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O4/c1-4-22(5-2,21(27)28-6-3)24-19(26)17-11-12-18(25-13-7-8-14-25)20(23-17)29-15-16-9-10-16/h11-12,16H,4-10,13-15H2,1-3H3,(H,24,26)
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n/an/an/an/a 1.40n/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))		BDBM210547
PNG
(US9290451, 251)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC
Show InChI InChI=1S/C20H28N2O4/c1-4-20(5-2,19(24)25-3)22-17(23)16-11-10-15(14-8-9-14)18(21-16)26-12-13-6-7-13/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,23)
PDB

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n/an/an/an/a 1.40n/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))		BDBM210483
PNG
(US9290451, 195)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)18(20(27)23-4)25-19(26)17-8-7-16(15-5-6-15)21(24-17)29-13-14-9-11-28-12-10-14/h7-8,14-15,18H,5-6,9-13H2,1-4H3,(H,23,27)(H,25,26)/t18-/m1/s1
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n/an/an/an/a 1.40n/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))		BDBM210523
PNG
(US9290451, 231)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C |r|
Show InChI InChI=1S/C21H31N3O3/c1-13(2)11-18(21(26)24(3)4)22-19(25)17-10-9-16(15-7-8-15)20(23-17)27-12-14-5-6-14/h9-10,13-15,18H,5-8,11-12H2,1-4H3,(H,22,25)/t18-/m0/s1
PDB

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n/an/an/an/a 1.40n/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))		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
PDB

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n/an/an/an/a 1.5n/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))		BDBM210198
PNG
(US9290451, 32)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2C)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C21H32N4O3/c1-13(2)11-17(19(22)26)23-20(27)16-8-9-18(25-10-4-5-14(25)3)21(24-16)28-12-15-6-7-15/h8-9,13-15,17H,4-7,10-12H2,1-3H3,(H2,22,26)(H,23,27)/t14?,17-/m0/s1
PDB

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n/an/an/an/a 1.55n/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))		BDBM210508
PNG
(US9290451, 220)
Show SMILES CCC(CC)(NC(=O)c1ccc(N(CC(F)(F)F)CC(F)(F)F)c(OCC2CC2)n1)C(=O)OC
Show InChI InChI=1S/C21H27F6N3O4/c1-4-19(5-2,18(32)33-3)29-16(31)14-8-9-15(17(28-14)34-10-13-6-7-13)30(11-20(22,23)24)12-21(25,26)27/h8-9,13H,4-7,10-12H2,1-3H3,(H,29,31)
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n/an/an/an/a 1.60n/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))		BDBM210575
PNG
(US9290451, 274)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N1CCC1
Show InChI InChI=1S/C22H31N3O3/c1-3-22(4-2,21(27)25-12-5-13-25)24-19(26)18-11-10-17(16-8-9-16)20(23-18)28-14-15-6-7-15/h10-11,15-16H,3-9,12-14H2,1-2H3,(H,24,26)
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n/an/an/an/a 1.60n/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))		BDBM210467
PNG
(US9290451, 182)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H31N3O3/c1-21(2,3)11-17(18(25)22-4)23-19(26)16-10-9-15(14-7-8-14)20(24-16)27-12-13-5-6-13/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,26)/t17-/m0/s1
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n/an/an/an/a 1.70n/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))		BDBM210566
PNG
(US9290451, 266)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C21H29F2N3O4/c1-4-20(5-2,19(28)29-6-3)25-17(27)15-9-10-16(26-12-21(22,23)13-26)18(24-15)30-11-14-7-8-14/h9-10,14H,4-8,11-13H2,1-3H3,(H,25,27)
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n/an/an/an/a 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))		BDBM210544
PNG
(US9290451, 249)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C18H23F3N2O4/c1-4-17(5-2,16(25)26-3)23-14(24)13-9-8-12(18(19,20)21)15(22-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)
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n/an/an/an/a 2.20n/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))		BDBM210556
PNG
(US9290451, 257)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C21H30N2O4/c1-4-21(5-2,20(25)26-6-3)23-18(24)17-12-11-16(15-9-10-15)19(22-17)27-13-14-7-8-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,23,24)
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n/an/an/an/a 2.30n/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))		BDBM210552
PNG
(US9290451, 254)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(c(OCC2CCCO2)n1)C(F)(F)F
Show InChI InChI=1S/C20H27F3N2O5/c1-4-19(5-2,18(27)28-6-3)25-16(26)15-10-9-14(20(21,22)23)17(24-15)30-12-13-8-7-11-29-13/h9-10,13H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/an/an/a 2.30n/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))		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 2.40n/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))		BDBM210635
PNG
(US9290451, 312)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N2O4/c1-4-18(5-2,17(26)27-6-3)24-15(25)14-10-9-13(19(20,21)22)16(23-14)28-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,24,25)
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n/an/an/an/a 2.40n/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))		BDBM210497
PNG
(US9290451, 209)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H30F2N4O3/c1-20(2,3)9-15(17(28)24-4)25-18(29)14-7-8-16(27-11-21(22,23)12-27)19(26-14)30-10-13-5-6-13/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,24,28)(H,25,29)/t15-/m0/s1
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n/an/an/an/a 2.5n/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))		BDBM210491
PNG
(US9290451, 203)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1 |r|
Show InChI InChI=1S/C22H33N3O4/c1-14(2)12-19(20(26)23-3)24-21(27)18-7-6-17(16-4-5-16)22(25-18)29-13-15-8-10-28-11-9-15/h6-7,14-16,19H,4-5,8-13H2,1-3H3,(H,23,26)(H,24,27)/t19-/m0/s1
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n/an/an/an/a 2.70n/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))		BDBM210504
PNG
(US9290451, 216)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1)C(C)(C)C |r|
Show InChI InChI=1S/C19H21ClFN3O2/c1-19(2,3)16(18(26)22-4)24-17(25)15-7-5-6-14(23-15)11-8-9-13(21)12(20)10-11/h5-10,16H,1-4H3,(H,22,26)(H,24,25)/t16-/m1/s1
PDB

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n/an/an/an/a 2.70n/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))		BDBM210564
PNG
(US9290451, 264)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CCCO2)n1)C(F)(F)F)C(=O)N(C)C
Show InChI InChI=1S/C20H28F3N3O4/c1-5-19(6-2,18(28)26(3)4)25-16(27)15-10-9-14(20(21,22)23)17(24-15)30-12-13-8-7-11-29-13/h9-10,13H,5-8,11-12H2,1-4H3,(H,25,27)
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n/an/an/an/a 2.70n/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))		BDBM210565
PNG
(US9290451, 265)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(Br)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25BrN2O4/c1-4-18(5-2,17(23)24-6-3)21-15(22)14-10-9-13(19)16(20-14)25-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,21,22)
PDB

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n/an/an/an/a 2.80n/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))		BDBM210687
PNG
(US9290451, 342)
Show SMILES CSCC[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C18H24F2N4O3S/c1-28-7-6-12(15(21)25)22-16(26)13-4-5-14(24-9-18(19,20)10-24)17(23-13)27-8-11-2-3-11/h4-5,11-12H,2-3,6-10H2,1H3,(H2,21,25)(H,22,26)/t12-/m0/s1
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n/an/an/an/a 2.80n/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))		BDBM210163
PNG
(US9290451, 14)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H31N3O3/c1-14(2)11-16(12-24)21-19(25)17-7-8-18(23-9-3-4-10-23)20(22-17)26-13-15-5-6-15/h7-8,14-16,24H,3-6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1
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n/an/an/an/a 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 2


(Homo sapiens (Human))		BDBM210641
PNG
(US9290451, 316)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C20H24F5N3O3/c1-3-18(4-2,17(30)28-10-19(21,22)11-28)27-15(29)14-8-7-13(20(23,24)25)16(26-14)31-9-12-5-6-12/h7-8,12H,3-6,9-11H2,1-2H3,(H,27,29)
PDB

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n/an/an/an/a 3.10n/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))		BDBM210510
PNG
(US9290451, 222)
Show SMILES CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H29N3O3/c1-24(2)21(26)18(11-13-3-4-13)22-19(25)17-10-9-16(15-7-8-15)20(23-17)27-12-14-5-6-14/h9-10,13-15,18H,3-8,11-12H2,1-2H3,(H,22,25)/t18-/m0/s1
PDB

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n/an/an/an/a 3.20n/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))		BDBM210688
PNG
(US9290451, 343)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18ClFN4O2/c1-11-23-19(26-28-11)18(9-12-5-6-12)25-20(27)17-4-2-3-16(24-17)13-7-8-15(22)14(21)10-13/h2-4,7-8,10,12,18H,5-6,9H2,1H3,(H,25,27)/t18-/m0/s1
PDB

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n/an/an/an/a 3.5n/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))		BDBM210701
PNG
(US9290451, 350)
Show SMILES Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H25N3O2S/c1-12-10-21-19(26-12)20(2,3)23-17(24)16-9-8-15(14-6-7-14)18(22-16)25-11-13-4-5-13/h8-10,13-14H,4-7,11H2,1-3H3,(H,23,24)
PDB

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n/an/an/an/a 3.60n/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))		BDBM210595
PNG
(US9290451, 287)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C22H29F2N3O3/c1-3-21(4-2,20(29)27-12-22(23,24)13-27)26-18(28)17-10-9-16(15-7-8-15)19(25-17)30-11-14-5-6-14/h9-10,14-15H,3-8,11-13H2,1-2H3,(H,26,28)
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n/an/an/an/a 3.60n/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))		BDBM210464
PNG
(US9290451, 179)
Show SMILES CC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-19(2,3)15(16(20)23)22-17(24)14-9-8-13(12-6-7-12)18(21-14)25-10-11-4-5-11/h8-9,11-12,15H,4-7,10H2,1-3H3,(H2,20,23)(H,22,24)
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n/an/an/an/a 3.80n/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))		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 3.90n/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))		BDBM210469
PNG
(US9290451, 184)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-13(2)11-18(19(25)22-3)23-20(26)17-9-8-16(14-6-7-14)21(24-17)28-12-15-5-4-10-27-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3,(H,22,25)(H,23,26)/t15?,18-/m0/s1
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n/an/an/an/a 3.90n/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))		BDBM210468
PNG
(US9290451, 183)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C21H31N3O4/c1-21(2,3)17(19(26)22-4)24-18(25)16-10-9-15(13-7-8-13)20(23-16)28-12-14-6-5-11-27-14/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,22,26)(H,24,25)/t14?,17-/m1/s1
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n/an/an/an/a 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))		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 4.10n/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))		BDBM210573
PNG
(US9290451, 272)
Show SMILES CC(C)CC(NC(=O)c1ccc(C2CC(F)(F)C2)c(OCC2CC2)n1)c1noc(C)n1
Show InChI InChI=1S/C22H28F2N4O3/c1-12(2)8-18(19-25-13(3)31-28-19)26-20(29)17-7-6-16(15-9-22(23,24)10-15)21(27-17)30-11-14-4-5-14/h6-7,12,14-15,18H,4-5,8-11H2,1-3H3,(H,26,29)
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n/an/an/an/a 4.30n/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))		BDBM210648
PNG
(US9290451, 320)
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-/m0/s1
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n/an/an/an/a 4.40n/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))		BDBM210563
PNG
(US9290451, 263)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CCC22COC2)c(OCC2CC2)n1
Show InChI InChI=1S/C23H33N3O5/c1-4-23(5-2,21(28)30-6-3)25-19(27)17-9-10-18(20(24-17)31-13-16-7-8-16)26-12-11-22(26)14-29-15-22/h9-10,16H,4-8,11-15H2,1-3H3,(H,25,27)
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n/an/an/an/a 4.5n/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))		BDBM210666
PNG
(US9290451, 332)
Show SMILES Fc1ccc(Cc2nc(ccc2C2CC2)C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H19F4N3O/c24-16-8-4-14(5-9-16)13-20-17(15-6-7-15)10-11-19(29-20)22(31)30-21(23(25,26)27)18-3-1-2-12-28-18/h1-5,8-12,15,21H,6-7,13H2,(H,30,31)/t21-/m0/s1
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n/an/an/an/a 4.5n/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
Displayed 1 to 50 (of 758 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%