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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°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM210608
PNG
(US9290451, 297)
Show SMILES CCC(CC)(NC(=O)c1cccc(OCC(F)(F)C(F)(F)F)n1)C(=O)NC
Show InChI InChI=1S/C16H20F5N3O3/c1-4-14(5-2,13(26)22-3)24-12(25)10-7-6-8-11(23-10)27-9-15(17,18)16(19,20)21/h6-8H,4-5,9H2,1-3H3,(H,22,26)(H,24,25)
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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 1


(Homo sapiens (Human))		BDBM210617
PNG
(US9290451, 303)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1 |r|
Show InChI InChI=1S/C17H23F3N2O3/c1-10(2)7-12(8-23)21-15(24)14-6-5-13(11-3-4-11)16(22-14)25-9-17(18,19)20/h5-6,10-12,23H,3-4,7-9H2,1-2H3,(H,21,24)/t12-/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))		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)
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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))		BDBM210636
PNG
(US9290451, 313)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(O[C@H](CCO)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)30-15(10-11-27)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>1.00E+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))		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)
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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))		BDBM210645
PNG
(US9290451, 318)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)C(O)c1ccc(F)cc1)c1noc(C)n1 |r|
Show InChI InChI=1S/C21H23FN4O3/c1-12(2)11-18(20-23-13(3)29-26-20)25-21(28)17-6-4-5-16(24-17)19(27)14-7-9-15(22)10-8-14/h4-10,12,18-19,27H,11H2,1-3H3,(H,25,28)/t18-,19?/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))		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 323n/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))		BDBM210652
PNG
(US9290451, 322)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CC(=O)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H23N5O4/c1-11-20-18(23-28-11)19(2,3)22-16(26)14-6-7-15(24-8-13(25)9-24)17(21-14)27-10-12-4-5-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,22,26)
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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))		BDBM210661
PNG
(US9290451, 329)
Show SMILES NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H22ClN3O3/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))		BDBM210665
PNG
(US9290451, 331)
Show SMILES CC(C)CSc1cccc(n1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C16H25N3O2S/c1-10(2)8-13(15(17)20)19-16(21)12-6-5-7-14(18-12)22-9-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3,(H2,17,20)(H,19,21)/t13-/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))		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
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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))		BDBM210690
PNG
(US9290451, 344)
Show SMILES CC(C)C[C@@H](CNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C26H33N7O5/c1-16(2)13-18(14-27-19-7-9-21(33(35)36)24-23(19)30-38-31-24)28-25(34)20-8-10-22(32-11-3-4-12-32)26(29-20)37-15-17-5-6-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3,(H,28,34)/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))		BDBM210694
PNG
(US9290451, 346)
Show SMILES CC(C)CSc1nc(ccc1C1CC1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C19H29N3O2S/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/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))		BDBM210699
PNG
(US9290451, 348)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cccc(n1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O2/c1-11-26-19(29-31-11)18(9-12-5-6-12)28-20(30)17-4-2-3-16(27-17)13-7-8-15(22)14(10-13)21(23,24)25/h2-4,7-8,10,12,18H,5-6,9H2,1H3,(H,28,30)/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))		BDBM210706
PNG
(US9290451, 353)
Show SMILES Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H24F2N4O2S/c1-12-8-23-18(29-12)19(2,3)25-16(27)14-6-7-15(26-10-20(21,22)11-26)17(24-14)28-9-13-4-5-13/h6-8,13H,4-5,9-11H2,1-3H3,(H,25,27)
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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))		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))		BDBM210131
PNG
(US9290451, 4)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC(F)(F)F)n1
Show InChI InChI=1S/C14H17F3N2O4/c1-8-5-6-9(18-11(8)23-7-14(15,16)17)10(20)19-13(2,3)12(21)22-4/h5-6H,7H2,1-4H3,(H,19,20)
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n/an/an/an/a 77.2n/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))		BDBM210141
PNG
(US9290451, 7)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20)
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n/an/an/an/a 32.1n/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))		BDBM210190
PNG
(US9290451, 26)
Show SMILES CC1CC(CCO1)NC(=O)c1cccc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN2O2/c1-12-10-15(8-9-23-12)20-18(22)17-7-3-6-16(21-17)13-4-2-5-14(19)11-13/h2-7,11-12,15H,8-10H2,1H3,(H,20,22)
PDB

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n/an/an/an/a 691n/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))		BDBM210193
PNG
(US9290451, 28)
Show SMILES Cc1cc(on1)C(C)(C)NC(=O)c1cccc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-12-10-17(25-23-12)19(2,3)22-18(24)16-9-5-8-15(21-16)13-6-4-7-14(20)11-13/h4-11H,1-3H3,(H,22,24)
PDB

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n/an/an/an/a 564n/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))		BDBM210203
PNG
(US9290451, 33)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H27N5O3/c1-13-21-19(24-28-13)20(2,3)23-17(26)15-8-9-16(25-10-4-5-11-25)18(22-15)27-12-14-6-7-14/h8-9,14H,4-7,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 23.1n/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))		BDBM210214
PNG
(US9290451, 36)
Show SMILES CNC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC2CC2)n1
Show InChI InChI=1S/C16H23N3O3/c1-10-5-8-12(18-14(10)22-9-11-6-7-11)13(20)19-16(2,3)15(21)17-4/h5,8,11H,6-7,9H2,1-4H3,(H,17,21)(H,19,20)
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n/an/an/an/a 974n/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))		BDBM210231
PNG
(US9290451, 43)
Show SMILES CNC(=O)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25N3O3/c1-18(2,17(23)19-3)21-15(22)14-9-8-13(12-6-7-12)16(20-14)24-10-11-4-5-11/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
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n/an/an/an/a 275n/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))		BDBM210308
PNG
(US9290451, 81)
Show SMILES CCC(CC)(NC(=O)c1ccc(OC)c(n1)-c1cccc(Cl)c1)C(=O)NC
Show InChI InChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
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n/an/an/an/a 417n/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))		BDBM210315
PNG
(US9290451, 87)
Show SMILES CNC(=O)C(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O3/c1-17(2,16(26)21-3)23-14(25)12-6-7-13(24-9-18(19,20)10-24)15(22-12)27-8-11-4-5-11/h6-7,11H,4-5,8-10H2,1-3H3,(H,21,26)(H,23,25)
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n/an/an/an/a 476n/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))		BDBM210338
PNG
(US9290451, 101)
Show SMILES CC(C)(NC(=O)c1ccc(C2CCOC2)c(n1)-c1cccc(Cl)c1)c1nccs1
Show InChI InChI=1S/C22H22ClN3O2S/c1-22(2,21-24-9-11-29-21)26-20(27)18-7-6-17(15-8-10-28-13-15)19(25-18)14-4-3-5-16(23)12-14/h3-7,9,11-12,15H,8,10,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 102n/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))		BDBM210350
PNG
(US9290451, 108)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(Cl)c(OCC2CC2)n1
Show InChI InChI=1S/C16H19ClN4O3/c1-9-18-15(21-24-9)16(2,3)20-13(22)12-7-6-11(17)14(19-12)23-8-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,20,22)
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n/an/an/an/a 190n/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))		BDBM210351
PNG
(US9290451, 109)
Show SMILES CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
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n/an/an/an/a 178n/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))		BDBM210378
PNG
(US9290451, 126)
Show SMILES CC(C)(NC(=O)c1ccc(C2CCCO2)c(n1)-c1cccc(Cl)c1)c1ncco1
Show InChI InChI=1S/C22H22ClN3O3/c1-22(2,21-24-10-12-29-21)26-20(27)17-9-8-16(18-7-4-11-28-18)19(25-17)14-5-3-6-15(23)13-14/h3,5-6,8-10,12-13,18H,4,7,11H2,1-2H3,(H,26,27)
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n/an/an/an/a 240n/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))		BDBM210382
PNG
(US9290451, 130)
Show SMILES Cc1ccc(nc1OCC1CC1)C(=O)N[C@@H](CC1CC1)C(N)=O |r|
Show InChI InChI=1S/C17H23N3O3/c1-10-2-7-13(20-17(10)23-9-12-5-6-12)16(22)19-14(15(18)21)8-11-3-4-11/h2,7,11-12,14H,3-6,8-9H2,1H3,(H2,18,21)(H,19,22)/t14-/m0/s1
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n/an/an/an/a 50n/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))		BDBM210398
PNG
(US9290451, 140)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(n1)-c1cccc(Cl)c1)C(N)=O |r|
Show InChI InChI=1S/C21H23ClF2N4O2/c1-12(2)8-16(19(25)29)27-20(30)15-6-7-17(28-10-21(23,24)11-28)18(26-15)13-4-3-5-14(22)9-13/h3-7,9,12,16H,8,10-11H2,1-2H3,(H2,25,29)(H,27,30)/t16-/m0/s1
PDB

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n/an/an/an/a 305n/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))		BDBM210409
PNG
(US9290451, 143)
Show SMILES C[C@](O)(CNC(=O)c1ccc2CCC(C)(C)Cc2n1)C1CC1 |r|
Show InChI InChI=1S/C18H26N2O2/c1-17(2)9-8-12-4-7-14(20-15(12)10-17)16(21)19-11-18(3,22)13-5-6-13/h4,7,13,22H,5-6,8-11H2,1-3H3,(H,19,21)/t18-/m0/s1
PDB

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n/an/an/an/a 410n/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))		BDBM210415
PNG
(US9290451, 149)
Show SMILES OC[C@@H]1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H23F2N3O3/c19-18(20)10-22(11-18)15-6-5-14(21-16(15)26-9-12-3-4-12)17(25)23-7-1-2-13(23)8-24/h5-6,12-13,24H,1-4,7-11H2/t13-/m0/s1
PDB

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n/an/an/an/a 175n/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))		BDBM210418
PNG
(US9290451, 151)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(C2CCOC2)c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClN4O3/c1-13-24-21(27-30-13)22(2,3)26-20(28)18-8-7-17(15-9-10-29-12-15)19(25-18)14-5-4-6-16(23)11-14/h4-8,11,15H,9-10,12H2,1-3H3,(H,26,28)
PDB

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n/an/an/an/a 351n/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))		BDBM210421
PNG
(US9290451, 154)
Show SMILES CC(C)(CCN1CCOCC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O3/c1-22(2,9-10-25-11-13-27-14-12-25)24-20(26)19-8-7-18(17-5-6-17)21(23-19)28-15-16-3-4-16/h7-8,16-17H,3-6,9-15H2,1-2H3,(H,24,26)
PDB

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n/an/an/an/a 150n/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))		BDBM210454
PNG
(US9290451, 170)
Show SMILES CCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C18H25N3O3/c1-3-18(2,17(19)23)21-15(22)14-9-8-13(12-6-7-12)16(20-14)24-10-11-4-5-11/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,22)
PDB

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n/an/an/an/a 194n/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
PDB

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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))		BDBM210470
PNG
(US9290451, 185)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1 |r|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
PDB

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n/an/an/an/a 7.5n/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))		BDBM210473
PNG
(US9290451, 187)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1)C(N)=O |r|
Show InChI InChI=1S/C21H24FN3O3/c1-12(2)11-18(19(23)26)24-20(27)17-10-9-16(13-3-4-13)21(25-17)28-15-7-5-14(22)6-8-15/h5-10,12-13,18H,3-4,11H2,1-2H3,(H2,23,26)(H,24,27)/t18-/m0/s1
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n/an/an/an/a 52.2n/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))		BDBM210489
PNG
(US9290451, 201)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCc2ccccn2)n1)C(C)(C)C |r|
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)18(20(28)23-4)26-19(27)17-11-10-16(14-8-9-14)21(25-17)29-13-15-7-5-6-12-24-15/h5-7,10-12,14,18H,8-9,13H2,1-4H3,(H,23,28)(H,26,27)/t18-/m1/s1
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n/an/an/an/a 26.7n/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))		BDBM210502
PNG
(US9290451, 214)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cccc(n1)-c1cccc(c1)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C20H22F3N3O2/c1-19(2,3)16(18(28)24-4)26-17(27)15-10-6-9-14(25-15)12-7-5-8-13(11-12)20(21,22)23/h5-11,16H,1-4H3,(H,24,28)(H,26,27)/t16-/m1/s1
PDB

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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))		BDBM210505
PNG
(US9290451, 217)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccnc1 |r|
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)17(14-2-1-9-24-10-14)26-18(27)16-8-7-15(13-5-6-13)19(25-16)28-11-12-3-4-12/h1-2,7-10,12-13,17H,3-6,11H2,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 41.1n/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))		BDBM210507
PNG
(US9290451, 219)
Show SMILES Cc1nc(no1)C(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C1CC1
Show InChI InChI=1S/C22H28N4O4/c1-13-23-20(26-30-13)19(16-4-5-16)25-21(27)18-7-6-17(15-2-3-15)22(24-18)29-12-14-8-10-28-11-9-14/h6-7,14-16,19H,2-5,8-12H2,1H3,(H,25,27)
PDB

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n/an/an/an/a 10.8n/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))		BDBM210515
PNG
(US9290451, 225)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-23-21(27)19(16-5-3-2-4-6-16)25-20(26)18-12-11-17(15-9-10-15)22(24-18)28-13-14-7-8-14/h2-6,11-12,14-15,19H,7-10,13H2,1H3,(H,23,27)(H,25,26)/t19-/m0/s1
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n/an/an/an/a 48.4n/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))		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
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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))		BDBM210535
PNG
(US9290451, 240)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccn1 |r|
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)17(15-3-1-2-10-24-15)26-18(27)16-9-8-14(13-6-7-13)19(25-16)28-11-12-4-5-12/h1-3,8-10,12-13,17H,4-7,11H2,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 66.1n/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))		BDBM210545
PNG
(US9290451, 250)
Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(=O)NC
Show InChI InChI=1S/C21H31N3O4/c1-4-21(5-2,20(26)22-3)24-18(25)17-11-10-16(14-8-9-14)19(23-17)28-13-15-7-6-12-27-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,22,26)(H,24,25)
PDB

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n/an/an/an/a 9.5n/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))		BDBM210548
PNG
(US9290451, 252)
Show SMILES CCC(CC)(NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H21F3N2O4/c1-3-16(4-2,15(24)25)22-13(23)12-8-7-11(17(18,19)20)14(21-12)26-9-10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)
PDB

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n/an/an/an/a 552n/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%