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Compile Data Set for Download or QSAR

Found 3095 hits of ec50 data for polymerid = 2137,49000332,6516   
Target
(Institution)
LigandTarget
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))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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n/an/an/an/a 0.0150n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006258
PNG
(CHEMBL3234701)
Show SMILES CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C
Show InChI InChI=1S/C16H28N2O4S/c1-11(2)8-9-23(20,21)16(6,7)14(19)17-13-10-12(18-22-13)15(3,4)5/h10-11H,8-9H2,1-7H3,(H,17,19)
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n/an/an/an/a 0.0400n/an/an/an/a


TBA

Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50063927
PNG
(CHEMBL3400946)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1/C19H23F3N4O2/c1-17(2,3)13-10-14(25-28-13)24-16(27)18(4)8-5-9-26(18)15-7-6-12(11-23-15)19(20,21)22/h6-7,10-11H,5,8-9H2,1-4H3,(H,24,25,27)/t18-/s2
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n/an/an/an/a 0.0400n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 0.0670n/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
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n/an/an/an/a 0.0700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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n/an/an/an/a 0.0780n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of human Cannabinoid receptor 2-mediated adenylylcyclase using African green monkey (COS-7) cells transfected ...


J Med Chem 40: 3228-33 (1997)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50063924
PNG
(CHEMBL3400943)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ncc(cc2Cl)C(F)(F)F)no1
Show InChI InChI=1/C18H20ClF3N4O2/c1-17(2,3)13-8-14(25-28-13)24-16(27)12-5-4-6-26(12)15-11(19)7-10(9-23-15)18(20,21)22/h7-9,12H,4-6H2,1-3H3,(H,24,25,27)/t12-/s2
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n/an/an/an/a 0.0800n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50272233
PNG
(CHEMBL501472 | N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3C)ccc12
Show InChI InChI=1S/C26H23FN4O2/c1-3-31-22-7-5-4-6-20(22)21-15-18(9-11-23(21)31)28-24(32)12-13-25-29-26(30-33-25)19-10-8-17(27)14-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,32)
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n/an/an/an/a 0.0890n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0900n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
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=1/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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US Patent
n/an/an/an/a 0.100n/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50272234
PNG
(3-(3-(2-Cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3C#N)ccc12
Show InChI InChI=1S/C26H20FN5O2/c1-2-32-22-6-4-3-5-20(22)21-14-18(8-10-23(21)32)29-24(33)11-12-25-30-26(31-34-25)19-9-7-17(27)13-16(19)15-28/h3-10,13-14H,2,11-12H2,1H3,(H,29,33)
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n/an/an/an/a 0.130n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006224
PNG
(CHEMBL3234674)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C1(CC1)C(N)=O
Show InChI InChI=1S/C20H27N3O3S/c1-19(2,3)11-17-22-15-10-14(27(25,26)20(8-9-20)18(21)24)6-7-16(15)23(17)12-13-4-5-13/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H2,21,24)
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n/an/an/an/a 0.150n/an/an/an/a


TBA

Assay Description
Agonist activity at human CB2 receptor transfected in CHO-K1 cells assessed as cAMP change


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM21284
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3
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n/an/an/an/a 0.170n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042704
PNG
(CHEMBL3353885)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cn2)C(F)(F)F)on1
Show InChI InChI=1/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/s2
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n/an/an/an/a 0.190n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042590
PNG
(CHEMBL3353863)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1
Show InChI InChI=1/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 0.190n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042590
PNG
(CHEMBL3353863)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1
Show InChI InChI=1/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 0.190n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 0.200n/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50041002
PNG
(CHEMBL3354941)
Show SMILES CC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2[C@@H]3C[C@@H]3Cc12)c1ccccc1
Show InChI InChI=1/C24H24FN3O/c1-24(2,17-6-4-3-5-7-17)26-23(29)21-20-13-16-12-19(16)22(20)28(27-21)14-15-8-10-18(25)11-9-15/h3-11,16,19H,12-14H2,1-2H3,(H,26,29)/t16-,19-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042891
PNG
(CHEMBL3354535)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1
Show InChI InChI=1/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042590
PNG
(CHEMBL3353863)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1
Show InChI InChI=1/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
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n/an/an/an/a 0.200n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042585
PNG
(CHEMBL3353864)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCCC2)no1
Show InChI InChI=1/C18H29N3O2/c1-18(2,3)15-12-16(20-23-15)19-17(22)14-10-7-11-21(14)13-8-5-4-6-9-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM221150
PNG
(US9303012, 76)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1/C21H20F3N3O2/c22-14-5-1-12(2-6-14)9-17-15(13-3-4-13)7-8-16(26-17)20(29)27-11-21(23,24)10-18(27)19(25)28/h1-2,5-8,13,18H,3-4,9-11H2,(H2,25,28)/t18-/s2
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n/an/an/an/a 0.200n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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n/an/an/an/a 0.208n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of human Cannabinoid receptor 2-mediated adenylylcyclase using African green monkey (COS-7) cells transfected ...


J Med Chem 40: 3228-33 (1997)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50063926
PNG
(CHEMBL3400945)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1
Show InChI InChI=1/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/s2
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n/an/an/an/a 0.210n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/s2
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n/an/an/an/a 0.230n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/s2
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n/an/an/an/a 0.230n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
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n/an/an/an/a 0.25n/an/an/an/a



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 US9409866 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM240353
PNG
(US9409866, 68 | US9409866, 69)
Show SMILES C[C@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
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n/an/an/an/a 0.25n/an/an/an/a



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 US9409866 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006260
PNG
(CHEMBL3234676)
Show SMILES CCC(C)Cn1c(nc2cc(ccc12)S(=O)(=O)c1ccnc(F)c1)C(C)(C)C
Show InChI InChI=1S/C21H26FN3O2S/c1-6-14(2)13-25-18-8-7-15(11-17(18)24-20(25)21(3,4)5)28(26,27)16-9-10-23-19(22)12-16/h7-12,14H,6,13H2,1-5H3
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n/an/an/an/a 0.260n/an/an/an/a


TBA

Assay Description
Agonist activity at human CB2 receptor transfected in CHO-K1 cells assessed as cAMP change


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50272233
PNG
(CHEMBL501472 | N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3C)ccc12
Show InChI InChI=1S/C26H23FN4O2/c1-3-31-22-7-5-4-6-20(22)21-15-18(9-11-23(21)31)28-24(32)12-13-25-29-26(30-33-25)19-10-8-17(27)14-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,32)
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n/an/an/an/a 0.270n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50063925
PNG
(CHEMBL3400944)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1/C20H24F3N3O2/c1-18(2,3)15-12-16(25-28-15)24-17(27)19(4)10-5-11-26(19)14-8-6-13(7-9-14)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,27)/t19-/s2
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n/an/an/an/a 0.290n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
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n/an/an/an/a 0.300n/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 17: 6299-304 (2007)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50222800
PNG
((2-allyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h4,6-7,13,16H,1,5,8-12,14-15H2,2-3H3
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n/an/an/an/a 0.300n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50364081
PNG
(CHEMBL411504)
Show SMILES CCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C24H31N3O4S/c1-5-31-22-15-19(8-11-25-22)32(28,29)18-6-7-21-20(14-18)26-23(24(2,3)4)27(21)16-17-9-12-30-13-10-17/h6-8,11,14-15,17H,5,9-10,12-13,16H2,1-4H3
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n/an/an/an/a 0.300n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 18: 2574-9 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50364081
PNG
(CHEMBL411504)
Show SMILES CCOc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C24H31N3O4S/c1-5-31-22-15-19(8-11-25-22)32(28,29)18-6-7-21-20(14-18)26-23(24(2,3)4)27(21)16-17-9-12-30-13-10-17/h6-8,11,14-15,17H,5,9-10,12-13,16H2,1-4H3
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n/an/an/an/a 0.300n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
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n/an/an/an/a 0.300n/an/an/an/a



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 US9409866 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50375385
PNG
(CHEMBL264154)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C
Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+
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n/an/an/an/a 0.320n/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 16: 1111-24 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50272234
PNG
(3-(3-(2-Cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3C#N)ccc12
Show InChI InChI=1S/C26H20FN5O2/c1-2-32-22-6-4-3-5-20(22)21-14-18(8-10-23(21)32)29-24(33)11-12-25-30-26(31-34-25)19-9-7-17(27)13-16(19)15-28/h3-10,13-14H,2,11-12H2,1H3,(H,29,33)
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n/an/an/an/a 0.330n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50272274
PNG
(CHEMBL500655 | N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)C3CCOCC3)ccc12
Show InChI InChI=1S/C24H26N4O3/c1-2-28-20-6-4-3-5-18(20)19-15-17(7-8-21(19)28)25-22(29)9-10-23-26-24(27-31-23)16-11-13-30-14-12-16/h3-8,15-16H,2,9-14H2,1H3,(H,25,29)
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n/an/an/an/a 0.380n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 0.390n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50419289
PNG
(CHEMBL1835215)
Show SMILES CC(C)Cn1c(O)cn(Cc2ccc(cc2)-c2ccc(F)c(CN3CCCC(F)C3)n2)c1=O
Show InChI InChI=1S/C25H30F2N4O2/c1-17(2)12-31-24(32)16-30(25(31)33)13-18-5-7-19(8-6-18)22-10-9-21(27)23(28-22)15-29-11-3-4-20(26)14-29/h5-10,16-17,20,32H,3-4,11-15H2,1-2H3
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n/an/an/an/a 0.398n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP formation after 45 mins by...


J Med Chem 54: 7350-62 (2011)

More data for this
Ligand-Target Pair
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