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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))		BDBM210600
PNG
(US9290451, 291)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C(O)=O
Show InChI InChI=1S/C20H29N3O4/c1-3-20(4-2,19(25)26)22-17(24)15-9-10-16(23-11-5-6-12-23)18(21-15)27-13-14-7-8-14/h9-10,14H,3-8,11-13H2,1-2H3,(H,22,24)(H,25,26)
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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))		BDBM210669
PNG
(US9290451, 334)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CCC(=O)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H25N5O4/c1-12-21-19(24-29-12)20(2,3)23-17(27)15-6-7-16(25-9-8-14(26)10-25)18(22-15)28-11-13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3,(H,23,27)
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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))		BDBM210671
PNG
(US9290451, 335)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)S(=O)(=O)CC(C)C)c1noc(C)n1 |r|
Show InChI InChI=1S/C18H26N4O4S/c1-11(2)9-15(17-19-13(5)26-22-17)21-18(23)14-7-6-8-16(20-14)27(24,25)10-12(3)4/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,23)/t15-/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))		BDBM210679
PNG
(US9290451, 339)
Show SMILES CC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ncccn1
Show InChI InChI=1S/C22H27F2N5O2/c1-14(2)10-17(19-25-8-3-9-26-19)27-20(30)16-6-7-18(29-12-22(23,24)13-29)21(28-16)31-11-15-4-5-15/h3,6-9,14-15,17H,4-5,10-13H2,1-2H3,(H,27,30)
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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))		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)
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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))		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
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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))		BDBM210708
PNG
(US9290451, 355)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnn1 |r|
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)/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))		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))		BDBM210728
PNG
(US9290451, 370)
Show SMILES CC1(COC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H21F2N3O3/c1-16(9-24-10-16)21-14(23)12-4-5-13(22-7-17(18,19)8-22)15(20-12)25-6-11-2-3-11/h4-5,11H,2-3,6-10H2,1H3,(H,21,23)
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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 2


(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)
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n/an/an/an/a 88.3n/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))		BDBM210155
PNG
(US9290451, 11)
Show SMILES Clc1cccc(c1)-c1cccc(n1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C17H18ClN3O/c18-14-7-4-6-13(12-14)15-8-5-9-16(19-15)17(22)20-21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)
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n/an/an/an/a 63.6n/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))		BDBM210161
PNG
(US9290451, 13)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(-c2cc[nH]n2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H22N4O4/c1-18(2,17(24)25-3)21-15(23)14-7-6-12(13-8-9-19-22-13)16(20-14)26-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,21,23)
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n/an/an/an/a 427n/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))		BDBM210195
PNG
(US9290451, 30)
Show SMILES Clc1cccc(c1)-c1cccc(n1)C(=O)NC1CCCOC1
Show InChI InChI=1S/C17H17ClN2O2/c18-13-5-1-4-12(10-13)15-7-2-8-16(20-15)17(21)19-14-6-3-9-22-11-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,19,21)
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n/an/an/an/a 658n/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))		BDBM210196
PNG
(US9290451, 31)
Show SMILES O=C(N1CC2(COC2)C1)c1ccc(N2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25N3O3/c23-18(22-10-19(11-22)12-24-13-19)15-5-6-16(21-7-1-2-8-21)17(20-15)25-9-14-3-4-14/h5-6,14H,1-4,7-13H2
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n/an/an/an/a 423n/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))		BDBM210217
PNG
(US9290451, 37)
Show SMILES O=C(NN1CCCCC1)c1cccc(n1)C1CCOCC1
Show InChI InChI=1S/C16H23N3O2/c20-16(18-19-9-2-1-3-10-19)15-6-4-5-14(17-15)13-7-11-21-12-8-13/h4-6,13H,1-3,7-12H2,(H,18,20)
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n/an/an/an/a 625n/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))		BDBM210228
PNG
(US9290451, 41)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1cccc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H17ClN4O2/c1-11-20-17(23-25-11)18(2,3)22-16(24)15-9-5-8-14(21-15)12-6-4-7-13(19)10-12/h4-10H,1-3H3,(H,22,24)
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n/an/an/an/a 99.9n/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))		BDBM210252
PNG
(US9290451, 54)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C21H28N4O3/c1-13-22-20(25-28-13)21(2,3)24-18(26)17-11-10-16(15-6-4-5-7-15)19(23-17)27-12-14-8-9-14/h10-11,14-15H,4-9,12H2,1-3H3,(H,24,26)
PDB

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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 2


(Homo sapiens (Human))		BDBM210272
PNG
(US9290451, 62)
Show SMILES Cc1ccc(nc1OCC1CC1)C(=O)NC(C)(C)c1nccs1
Show InChI InChI=1S/C17H21N3O2S/c1-11-4-7-13(19-15(11)22-10-12-5-6-12)14(21)20-17(2,3)16-18-8-9-23-16/h4,7-9,12H,5-6,10H2,1-3H3,(H,20,21)
PDB

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n/an/an/an/a 11.5n/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))		BDBM210276
PNG
(US9290451, 65)
Show SMILES Cc1ccc(nc1OCC1CC1)C(=O)N[C@@H](CC1CC1)c1nccs1 |r|
Show InChI InChI=1S/C19H23N3O2S/c1-12-2-7-15(22-18(12)24-11-14-5-6-14)17(23)21-16(10-13-3-4-13)19-20-8-9-25-19/h2,7-9,13-14,16H,3-6,10-11H2,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 33.8n/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))		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))		BDBM210285
PNG
(US9290451, 70)
Show SMILES CCC(CC)(NC(=O)c1ccc(C)c(n1)-c1cccc(Cl)c1)C(=O)NC
Show InChI InChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)22-4)24-18(25)16-11-10-13(3)17(23-16)14-8-7-9-15(21)12-14/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
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n/an/an/an/a 57.4n/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))		BDBM210291
PNG
(US9290451, 74)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C20H29N3O3/c1-4-20(5-2,19(25)21-3)23-17(24)16-11-10-15(14-8-9-14)18(22-16)26-12-13-6-7-13/h10-11,13-14H,4-9,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/an/an/a 8.90n/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))		BDBM210293
PNG
(US9290451, 75)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)c1nccs1
Show InChI InChI=1S/C19H24N4O3S/c1-19(2,18-20-7-8-27-18)22-16(25)14-5-6-15(23-9-13(24)10-23)17(21-14)26-11-12-3-4-12/h5-8,12-13,24H,3-4,9-11H2,1-2H3,(H,22,25)
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n/an/an/an/a 15.2n/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))		BDBM210299
PNG
(US9290451, 77)
Show SMILES CC(C)(NC(=O)c1ccc(N2CCCS2(=O)=O)c(OCC2CC2)n1)c1nccs1
Show InChI InChI=1S/C19H24N4O4S2/c1-19(2,18-20-8-10-28-18)22-16(24)14-6-7-15(23-9-3-11-29(23,25)26)17(21-14)27-12-13-4-5-13/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,22,24)
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n/an/an/an/a 1.40E+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))		BDBM210328
PNG
(US9290451, 97)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(n1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O2/c22-15-3-1-2-14(11-15)19-16(13-6-7-13)8-9-17(24-19)21(27)25-18(20(23)26)10-12-4-5-12/h1-3,8-9,11-13,18H,4-7,10H2,(H2,23,26)(H,25,27)/t18-/m0/s1
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n/an/an/an/a 508n/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))		BDBM210341
PNG
(US9290451, 104)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)c(n1)-c1cccc(Cl)c1)c1ncco1
Show InChI InChI=1S/C18H15Cl2N3O2/c1-18(2,17-21-8-9-25-17)23-16(24)14-7-6-13(20)15(22-14)11-4-3-5-12(19)10-11/h3-10H,1-2H3,(H,23,24)
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n/an/an/an/a 517n/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))		BDBM210381
PNG
(US9290451, 129)
Show SMILES CC(C)(NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F)c1ncco1
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2,15-21-7-8-25-15)23-13(24)12-6-5-11(17(18,19)20)14(22-12)26-9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,23,24)
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n/an/an/an/a 184n/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))		BDBM210394
PNG
(US9290451, 137)
Show SMILES OC1CCCCC1NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25F2N3O3/c20-19(21)10-24(11-19)15-8-7-14(23-18(15)27-9-12-5-6-12)17(26)22-13-3-1-2-4-16(13)25/h7-8,12-13,16,25H,1-6,9-11H2,(H,22,26)
PDB

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n/an/an/an/a 211n/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))		BDBM210404
PNG
(US9290451, 142)
Show SMILES COCCOc1nc(ccc1C1CC1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C18H27N3O4/c1-11(2)10-15(16(19)22)20-17(23)14-7-6-13(12-4-5-12)18(21-14)25-9-8-24-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t15-/m0/s1
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n/an/an/an/a 14.4n/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))		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
PDB

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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))		BDBM210445
PNG
(US9290451, 163)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C21H26N4O3/c1-12-22-19(25-28-12)18(10-13-2-3-13)23-20(26)17-9-8-16(15-6-7-15)21(24-17)27-11-14-4-5-14/h8-9,13-15,18H,2-7,10-11H2,1H3,(H,23,26)/t18-/m0/s1
PDB

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n/an/an/an/a 14.5n/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))		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
PDB

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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))		BDBM210478
PNG
(US9290451, 190)
Show SMILES Cc1nc(no1)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CC1
Show InChI InChI=1S/C20H24N4O3/c1-11-21-18(24-27-11)17(14-6-7-14)23-19(25)16-9-8-15(13-4-5-13)20(22-16)26-10-12-2-3-12/h8-9,12-14,17H,2-7,10H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 20.4n/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))		BDBM210481
PNG
(US9290451, 193)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(n1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H24ClN3O2/c1-20(2,3)12-17(18(25)22-4)24-19(26)16-10-6-9-15(23-16)13-7-5-8-14(21)11-13/h5-11,17H,12H2,1-4H3,(H,22,25)(H,24,26)/t17-/m0/s1
PDB

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n/an/an/an/a 99.4n/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))		BDBM210487
PNG
(US9290451, 199)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCc2ccccn2)n1
Show InChI InChI=1S/C21H23N5O3/c1-13-23-20(26-29-13)21(2,3)25-18(27)17-10-9-16(14-7-8-14)19(24-17)28-12-15-6-4-5-11-22-15/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,25,27)
PDB

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n/an/an/an/a 151n/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))		BDBM210492
PNG
(US9290451, 204)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H23N3O2/c1-19(2,3)16(18(24)20-4)22-17(23)15-12-8-11-14(21-15)13-9-6-5-7-10-13/h5-12,16H,1-4H3,(H,20,24)(H,22,23)/t16-/m1/s1
PDB

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n/an/an/an/a 13.2n/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))		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))		BDBM210496
PNG
(US9290451, 208)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C20H28F2N4O3/c1-19(2,3)15(17(28)23-4)25-16(27)13-7-8-14(26-10-20(21,22)11-26)18(24-13)29-9-12-5-6-12/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,23,28)(H,25,27)/t15-/m1/s1
PDB

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US Patent
n/an/an/an/a 8.90n/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))		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))		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
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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))		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
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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))		BDBM210542
PNG
(US9290451, 247)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C#N |r|
Show InChI InChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-18(23)17-8-7-16(14-5-6-14)19(22-17)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23)/t15-/m1/s1
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n/an/an/an/a 5.60n/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))		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)
PDB

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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))		BDBM210550
PNG
(US9290451, 253)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CCOCC2)n1)C(F)(F)F)C(=O)NC
Show InChI InChI=1S/C20H28F3N3O4/c1-4-19(5-2,18(28)24-3)26-16(27)15-7-6-14(20(21,22)23)17(25-15)30-12-13-8-10-29-11-9-13/h6-7,13H,4-5,8-12H2,1-3H3,(H,24,28)(H,26,27)
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n/an/an/an/a 14.3n/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))		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))		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)
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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))		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
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* indicates data uncertainty>20%