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Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50033241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341934
PNG
(CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341920
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1
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n/an/a 0.550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341930
PNG
(CHEMBL1765246 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22+,24-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341929
PNG
(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341936
PNG
(CHEMBL1765261 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O2/c27-23(18-10-11-21-17(16-18)12-14-25-21)26-15-13-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,10-12,14,16,20,22,25,28H,4-5,8-9,13,15H2/t20-,22+,24-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341933
PNG
(CHEMBL1765258 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(19-16-18-8-4-6-12-22(18)26-17-19)27-15-14-25(29,20-9-2-1-3-10-20)21-11-5-7-13-23(21)27/h1-4,6,8-10,12,16-17,21,23,29H,5,7,11,13-15H2/t21-,23+,25-/m1/s1
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n/an/a 3.38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341938
PNG
(CHEMBL1765263 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341927
PNG
(CHEMBL1765159 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20+,22-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341935
PNG
(CHEMBL1765260 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2cnccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N3O2/c28-23(21-11-10-17-16-25-14-12-20(17)26-21)27-15-13-24(29,18-6-2-1-3-7-18)19-8-4-5-9-22(19)27/h1-3,6-7,10-12,14,16,19,22,29H,4-5,8-9,13,15H2/t19-,22+,24-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341932
PNG
(CHEMBL1765248 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES CN1CCC(C1)C(=O)N1CC[C@@](O)([C@H]2CCCC[C@@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O2/c1-22-13-11-16(15-22)20(24)23-14-12-21(25,17-7-3-2-4-8-17)18-9-5-6-10-19(18)23/h2-4,7-8,16,18-19,25H,5-6,9-15H2,1H3/t16?,18-,19+,21-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341942
PNG
(CHEMBL1765267 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES Cc1cccc(n1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-8-7-12-19(23-16)21(25)24-15-14-22(26,17-9-3-2-4-10-17)18-11-5-6-13-20(18)24/h2-4,7-10,12,18,20,26H,5-6,11,13-15H2,1H3/t18-,20+,22-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341940
PNG
(CHEMBL1765265 | cis-rac-(3-fluoropyridin-4-yl)((4S...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccncc1F)c1ccccc1 |r|
Show InChI InChI=1S/C21H23FN2O2/c22-18-14-23-12-10-16(18)20(25)24-13-11-21(26,15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,10,12,14,17,19,26H,4-5,8-9,11,13H2/t17-,19+,21-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50341951
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341951
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341920
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341939
PNG
(CHEMBL1765264 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccon1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O3/c22-18(16-10-13-24-20-16)21-12-11-19(23,14-6-2-1-3-7-14)15-8-4-5-9-17(15)21/h1-3,6-7,10,13,15,17,23H,4-5,8-9,11-12H2/t15-,17+,19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341955
PNG
(CHEMBL1765281 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)19-11-10-15(14-26-19)20(28)27-13-12-21(29,16-6-2-1-3-7-16)17-8-4-5-9-18(17)27/h1-3,6-7,10-11,14,17-18,29H,4-5,8-9,12-13H2/t17-,18+,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341945
PNG
(CHEMBL1765270 | cis-rac-(6-cyclopropylpyridin-3-yl...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O2/c27-23(18-12-13-21(25-16-18)17-10-11-17)26-15-14-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,12-13,16-17,20,22,28H,4-5,8-11,14-15H2/t20-,22+,24-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341951
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341943
PNG
(CHEMBL1765268 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)15-31-20-11-10-16(14-27-20)21(29)28-13-12-22(30,17-6-2-1-3-7-17)18-8-4-5-9-19(18)28/h1-3,6-7,10-11,14,18-19,30H,4-5,8-9,12-13,15H2/t18-,19+,22-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341931
PNG
(CHEMBL1765247 | cis-(5-(2-fluorophenyl)-1H-pyrazol...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cc(n[nH]1)-c1ccccc1F)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2/c26-20-12-6-4-10-18(20)21-16-22(28-27-21)24(30)29-15-14-25(31,17-8-2-1-3-9-17)19-11-5-7-13-23(19)29/h1-4,6,8-10,12,16,19,23,31H,5,7,11,13-15H2,(H,27,28)/t19-,23+,25-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341924
PNG
(CHEMBL1765156 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22-,24-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341922
PNG
(CHEMBL1765154 | trans-(4-chlorophenyl)((4R,4aS,8aS...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20-,22-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341958
PNG
(CHEMBL1765284 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cn(CC(F)(F)F)cn1)c1ccccc1 |r|
Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)13-26-12-17(25-14-26)19(28)27-11-10-20(29,15-6-2-1-3-7-15)16-8-4-5-9-18(16)27/h1-3,6-7,12,14,16,18,29H,4-5,8-11,13H2/t16-,18+,20-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341954
PNG
(CHEMBL1765280 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ncccn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-19(18-21-12-6-13-22-18)23-14-11-20(25,15-7-2-1-3-8-15)16-9-4-5-10-17(16)23/h1-3,6-8,12-13,16-17,25H,4-5,9-11,14H2/t16-,17+,20-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341962
PNG
(CHEMBL1765288 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CN(CC(F)(F)F)CCO1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29F3N2O3/c23-22(24,25)15-26-12-13-30-19(14-26)20(28)27-11-10-21(29,16-6-2-1-3-7-16)17-8-4-5-9-18(17)27/h1-3,6-7,17-19,29H,4-5,8-15H2/t17-,18+,19?,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341947
PNG
(CHEMBL1765272 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES CN1CCOCC1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19?,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341937
PNG
(CHEMBL1765262 | cis-rac-(1H-benzo[d]imidazol-4-yl)...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2nc[nH]c12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-19-21(17)25-15-24-19)26-14-13-23(28,16-7-2-1-3-8-16)18-10-4-5-12-20(18)26/h1-3,6-9,11,15,18,20,28H,4-5,10,12-14H2,(H,24,25)/t18-,20+,23-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341953
PNG
(CHEMBL1765279 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cscn1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O2S/c22-18(16-12-24-13-20-16)21-11-10-19(23,14-6-2-1-3-7-14)15-8-4-5-9-17(15)21/h1-3,6-7,12-13,15,17,23H,4-5,8-11H2/t15-,17+,19-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341923
PNG
(CHEMBL1765155 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23-,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341921
PNG
(CHEMBL1765153 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20-,22-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341946
PNG
(CHEMBL1765271 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES CN1CCCCC1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23-15-8-7-13-20(23)21(25)24-16-14-22(26,17-9-3-2-4-10-17)18-11-5-6-12-19(18)24/h2-4,9-10,18-20,26H,5-8,11-16H2,1H3/t18-,19+,20?,22-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341948
PNG
(CHEMBL1765273 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CNCCN1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O2/c24-19(17-14-21-11-12-22-17)23-13-10-20(25,15-6-2-1-3-7-15)16-8-4-5-9-18(16)23/h1-3,6-7,16-18,21-22,25H,4-5,8-14H2/t16-,17?,18+,20-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341963
PNG
(CHEMBL1765249 | trans-((4R,4aS,8aS)-4-hydroxy-4-(4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@]1(O)CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-29(27,28)19-13-11-18(12-14-19)23(26)15-16-24(21-10-6-5-9-20(21)23)22(25)17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21,26H,5-6,9-10,15-16H2,1H3/t20-,21-,23-/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341941
PNG
(CHEMBL1765266 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES Cn1ccnc1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N3O2/c1-22-14-12-21-18(22)19(24)23-13-11-20(25,15-7-3-2-4-8-15)16-9-5-6-10-17(16)23/h2-4,7-8,12,14,16-17,25H,5-6,9-11,13H2,1H3/t16-,17+,20-/m1/s1
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n/an/a 124n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341959
PNG
(CHEMBL1765285 | cis-rac-5-((4S,4aR,8aS)-4-hydroxy-...)
Show SMILES CN1CC(CCC1=O)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C22H30N2O3/c1-23-15-16(11-12-20(23)25)21(26)24-14-13-22(27,17-7-3-2-4-8-17)18-9-5-6-10-19(18)24/h2-4,7-8,16,18-19,27H,5-6,9-15H2,1H3/t16?,18-,19+,22-/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341956
PNG
(CHEMBL1765282 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccncn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-19(17-10-12-21-14-22-17)23-13-11-20(25,15-6-2-1-3-7-15)16-8-4-5-9-18(16)23/h1-3,6-7,10,12,14,16,18,25H,4-5,8-9,11,13H2/t16-,18+,20-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341966
PNG
(CHEMBL1765252 | trans-((4R,4aS,8aS)-4-(4-chlorophe...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-17(11-13-18)22(26)14-15-24(20-9-5-4-8-19(20)22)21(25)16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20-,22-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341957
PNG
(CHEMBL1765283 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnco1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O3/c22-18(17-12-20-13-24-17)21-11-10-19(23,14-6-2-1-3-7-14)15-8-4-5-9-16(15)21/h1-3,6-7,12-13,15-16,23H,4-5,8-11H2/t15-,16+,19-/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341929
PNG
(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341961
PNG
(CHEMBL1765287 | cis-rac-5-((4S,4aR,8aS)-4-hydroxy-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CCC(=O)N1)c1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O3/c23-18-11-10-16(21-18)19(24)22-13-12-20(25,14-6-2-1-3-7-14)15-8-4-5-9-17(15)22/h1-3,6-7,15-17,25H,4-5,8-13H2,(H,21,23)/t15-,16?,17+,20-/m1/s1
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n/an/a 193n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341934
PNG
(CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1
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n/an/a 261n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341944
PNG
(CHEMBL1765269 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1nnc[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C18H22N4O2/c23-17(16-19-12-20-21-16)22-11-10-18(24,13-6-2-1-3-7-13)14-8-4-5-9-15(14)22/h1-3,6-7,12,14-15,24H,4-5,8-11H2,(H,19,20,21)/t14-,15+,18-/m1/s1
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n/an/a 282n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
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n/an/a 312n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341969
PNG
(CHEMBL1765255 | trans-((4R,4aS,8aS)-4-hydroxy-4-(3...)
Show SMILES CS(=O)(=O)c1cccc(c1)[C@@]1(O)CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-29(27,28)19-11-7-10-18(16-19)23(26)14-15-24(21-13-6-5-12-20(21)23)22(25)17-8-3-2-4-9-17/h2-4,7-11,16,20-21,26H,5-6,12-15H2,1H3/t20-,21-,23-/m0/s1
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n/an/a 338n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
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