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Compile Data Set for Download or QSAR

Found 3094 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


Citation and Details
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


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 0.0670n/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...


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


Citation and Details
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


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 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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


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 0.0900n/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


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


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...


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 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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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
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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