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PubMed code 21115245

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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42n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human cloned CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human cloned CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334014
PNG
(4-(3-(1-benzyl-4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(Cc2ccccc2)c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C28H26F3N3O/c29-28(30,31)25-11-5-9-23(17-25)26-20-34(19-21-6-2-1-3-7-21)27(32-26)24-10-4-8-22(16-24)18-33-12-14-35-15-13-33/h1-11,16-17,20H,12-15,18-19H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334037
PNG
((2-(3-(morpholinomethyl)phenyl)-4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(C(=O)c2ccccc2)c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C28H24F3N3O2/c29-28(30,31)24-11-5-9-22(17-24)25-19-34(27(35)21-7-2-1-3-8-21)26(32-25)23-10-4-6-20(16-23)18-33-12-14-36-15-13-33/h1-11,16-17,19H,12-15,18H2
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334041
PNG
(3-fluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H21F4N3/c23-19-8-3-9-29(14-19)13-15-4-1-6-17(10-15)21-27-12-20(28-21)16-5-2-7-18(11-16)22(24,25)26/h1-2,4-7,10-12,19H,3,8-9,13-14H2,(H,27,28)
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n/an/an/an/a 16n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334022
PNG
((S)-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES O[C@H]1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-2-5-16(11-18)20-12-26-21(27-20)17-6-1-4-15(10-17)13-28-9-3-8-19(29)14-28/h1-2,4-7,10-12,19,29H,3,8-9,13-14H2,(H,26,27)/t19-/m0/s1
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n/an/an/an/a 113n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334033
PNG
(4-fluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imi...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)CC2)c1
Show InChI InChI=1S/C22H23F2N3O/c1-28-18-5-6-20(24)19(12-18)21-13-25-22(26-21)16-4-2-3-15(11-16)14-27-9-7-17(23)8-10-27/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,26)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334043
PNG
(1-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)p...)
Show SMILES Clc1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H22ClN3/c22-19-9-5-7-17(13-19)20-14-23-21(24-20)18-8-4-6-16(12-18)15-25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11,15H2,(H,23,24)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334046
PNG
(1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-y...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H24FN3O/c1-27-18-8-9-20(23)19(13-18)21-14-24-22(25-21)17-7-5-6-16(12-17)15-26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334013
PNG
(4-(3-(1-(cyclopropylmethyl)-4-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(CC2CC2)c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C25H26F3N3O/c26-25(27,28)22-6-2-4-20(14-22)23-17-31(16-18-7-8-18)24(29-23)21-5-1-3-19(13-21)15-30-9-11-32-12-10-30/h1-6,13-14,17-18H,7-12,15-16H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334022
PNG
((S)-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES O[C@H]1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-2-5-16(11-18)20-12-26-21(27-20)17-6-1-4-15(10-17)13-28-9-3-8-19(29)14-28/h1-2,4-7,10-12,19,29H,3,8-9,13-14H2,(H,26,27)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334035
PNG
(2-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CN(Cc2ccccc2-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CCO1
Show InChI InChI=1S/C22H22F3N3O/c1-15-13-28(9-10-29-15)14-17-5-2-3-8-19(17)21-26-12-20(27-21)16-6-4-7-18(11-16)22(23,24)25/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334017
PNG
(2-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CCO1
Show InChI InChI=1S/C22H22F3N3O/c1-15-13-28(8-9-29-15)14-16-4-2-6-18(10-16)21-26-12-20(27-21)17-5-3-7-19(11-17)22(23,24)25/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,26,27)
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334025
PNG
(4-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)-...)
Show SMILES CC1CN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2)CCO1
Show InChI InChI=1S/C21H22ClN3O/c1-15-13-25(8-9-26-15)14-16-4-2-6-18(10-16)21-23-12-20(24-21)17-5-3-7-19(22)11-17/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,23,24)
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n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334027
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES CC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C22H23Cl2N3/c1-15-8-10-27(11-9-15)14-16-4-2-5-17(12-16)22-25-13-20(26-22)18-6-3-7-19(23)21(18)24/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,26)
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334030
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-4-methoxyphenyl)-1H...)
Show SMILES COc1ccc(-c2c[nH]c(n2)-c2cccc(CN3CCC(F)(F)CC3)c2)c(F)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-18(19(23)12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334021
PNG
(4,4-difluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H20F5N3/c23-21(24)7-9-30(10-8-21)14-15-3-1-5-17(11-15)20-28-13-19(29-20)16-4-2-6-18(12-16)22(25,26)27/h1-6,11-13H,7-10,14H2,(H,28,29)
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n/an/an/an/a 2.55E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334023
PNG
((1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2...)
Show SMILES OCC1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3N3O/c24-23(25,26)20-8-2-6-18(11-20)21-12-27-22(28-21)19-7-1-4-16(10-19)13-29-9-3-5-17(14-29)15-30/h1-2,4,6-8,10-12,17,30H,3,5,9,13-15H2,(H,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334029
PNG
(1-(3-(4-(2,4-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C21H20Cl2FN3/c22-16-4-5-18(19(23)11-16)20-12-25-21(26-20)15-3-1-2-14(10-15)13-27-8-6-17(24)7-9-27/h1-5,10-12,17H,6-9,13H2,(H,25,26)
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n/an/an/an/a 2.45E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334031
PNG
(4-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-y...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H22FN3O2/c1-26-17-5-6-19(22)18(12-17)20-13-23-21(24-20)16-4-2-3-15(11-16)14-25-7-9-27-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24)
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334018
PNG
(1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H22F3N3/c23-22(24,25)19-9-5-7-17(13-19)20-14-26-21(27-20)18-8-4-6-16(12-18)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15H2,(H,26,27)
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n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334021
PNG
(4,4-difluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H20F5N3/c23-21(24)7-9-30(10-8-21)14-15-3-1-5-17(11-15)20-28-13-19(29-20)16-4-2-6-18(12-16)22(25,26)27/h1-6,11-13H,7-10,14H2,(H,28,29)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334035
PNG
(2-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CN(Cc2ccccc2-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CCO1
Show InChI InChI=1S/C22H22F3N3O/c1-15-13-28(9-10-29-15)14-17-5-2-3-8-19(17)21-26-12-20(27-21)16-6-4-7-18(11-16)22(23,24)25/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
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n/an/an/an/a 510n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334044
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES Clc1cccc(-c2c[nH]c(n2)-c2cccc(CN3CCCCC3)c2)c1Cl
Show InChI InChI=1S/C21H21Cl2N3/c22-18-9-5-8-17(20(18)23)19-13-24-21(25-19)16-7-4-6-15(12-16)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,25)
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334045
PNG
(1-(3-(4-(2,4-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES Clc1ccc(-c2c[nH]c(n2)-c2cccc(CN3CCCCC3)c2)c(Cl)c1
Show InChI InChI=1S/C21H21Cl2N3/c22-17-7-8-18(19(23)12-17)20-13-24-21(25-20)16-6-4-5-15(11-16)14-26-9-2-1-3-10-26/h4-8,11-13H,1-3,9-10,14H2,(H,24,25)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334014
PNG
(4-(3-(1-benzyl-4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(Cc2ccccc2)c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C28H26F3N3O/c29-28(30,31)25-11-5-9-23(17-25)26-20-34(19-21-6-2-1-3-7-21)27(32-26)24-10-4-8-22(16-24)18-33-12-14-35-15-13-33/h1-11,16-17,20H,12-15,18-19H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334015
PNG
(1-(2-(3-(morpholinomethyl)phenyl)-4-(3-(trifluorom...)
Show SMILES CC(=O)n1cc(nc1-c1cccc(CN2CCOCC2)c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2/c1-16(30)29-15-21(18-5-3-7-20(13-18)23(24,25)26)27-22(29)19-6-2-4-17(12-19)14-28-8-10-31-11-9-28/h2-7,12-13,15H,8-11,14H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334018
PNG
(1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H22F3N3/c23-22(24,25)19-9-5-7-17(13-19)20-14-26-21(27-20)18-8-4-6-16(12-18)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15H2,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334019
PNG
(4-methyl-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H24F3N3/c1-16-8-10-29(11-9-16)15-17-4-2-6-19(12-17)22-27-14-21(28-22)18-5-3-7-20(13-18)23(24,25)26/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334033
PNG
(4-fluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imi...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)CC2)c1
Show InChI InChI=1S/C22H23F2N3O/c1-28-18-5-6-20(24)19(12-18)21-13-25-22(26-21)16-4-2-3-15(11-16)14-27-9-7-17(23)8-10-27/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,26)
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n/an/an/an/a 87n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334015
PNG
(1-(2-(3-(morpholinomethyl)phenyl)-4-(3-(trifluorom...)
Show SMILES CC(=O)n1cc(nc1-c1cccc(CN2CCOCC2)c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2/c1-16(30)29-15-21(18-5-3-7-20(13-18)23(24,25)26)27-22(29)19-6-2-4-17(12-19)14-28-8-10-31-11-9-28/h2-7,12-13,15H,8-11,14H2,1H3
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n/an/an/an/a 9n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334019
PNG
(4-methyl-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H24F3N3/c1-16-8-10-29(11-9-16)15-17-4-2-6-19(12-17)22-27-14-21(28-22)18-5-3-7-20(13-18)23(24,25)26/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334029
PNG
(1-(3-(4-(2,4-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C21H20Cl2FN3/c22-16-4-5-18(19(23)11-16)20-12-25-21(26-20)15-3-1-2-14(10-15)13-27-8-6-17(24)7-9-27/h1-5,10-12,17H,6-9,13H2,(H,25,26)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334013
PNG
(4-(3-(1-(cyclopropylmethyl)-4-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(CC2CC2)c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C25H26F3N3O/c26-25(27,28)22-6-2-4-20(14-22)23-17-31(16-18-7-8-18)24(29-23)21-5-1-3-19(13-21)15-30-9-11-32-12-10-30/h1-6,13-14,17-18H,7-12,15-16H2
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n/an/an/an/a 412n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334016
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCSCC2)c1
Show InChI InChI=1S/C21H20F3N3S/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334039
PNG
((S)-3-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES C[C@H]1COCCN1Cc1cccc(c1)-c1nc(c[nH]1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N3O/c1-15-14-29-9-8-28(15)13-16-4-2-6-18(10-16)21-26-12-20(27-21)17-5-3-7-19(11-17)22(23,24)25/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,26,27)/t15-/m0/s1
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n/an/an/an/a 169n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334020
PNG
(4-fluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H21F4N3/c23-19-7-9-29(10-8-19)14-15-3-1-5-17(11-15)21-27-13-20(28-21)16-4-2-6-18(12-16)22(24,25)26/h1-6,11-13,19H,7-10,14H2,(H,27,28)
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n/an/an/an/a 9n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334042
PNG
(3,3-difluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCC(F)(F)C2)c1
Show InChI InChI=1S/C22H20F5N3/c23-21(24)8-3-9-30(14-21)13-15-4-1-6-17(10-15)20-28-12-19(29-20)16-5-2-7-18(11-16)22(25,26)27/h1-2,4-7,10-12H,3,8-9,13-14H2,(H,28,29)
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334023
PNG
((1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2...)
Show SMILES OCC1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3N3O/c24-23(25,26)20-8-2-6-18(11-20)21-12-27-22(28-21)19-7-1-4-16(10-19)13-29-9-3-5-17(14-29)15-30/h1-2,4,6-8,10-12,17,30H,3,5,9,13-15H2,(H,27,28)
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n/an/an/an/a 61n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334026
PNG
(1-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)-...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H21ClFN3/c22-18-6-2-4-16(12-18)20-13-24-21(25-20)17-5-1-3-15(11-17)14-26-9-7-19(23)8-10-26/h1-6,11-13,19H,7-10,14H2,(H,24,25)
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334046
PNG
(1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-y...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H24FN3O/c1-27-18-8-9-20(23)19(13-18)21-14-24-22(25-21)17-7-5-6-16(12-17)15-26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
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n/an/an/an/a 320n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334016
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCSCC2)c1
Show InChI InChI=1S/C21H20F3N3S/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334017
PNG
(2-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CCO1
Show InChI InChI=1S/C22H22F3N3O/c1-15-13-28(8-9-29-15)14-16-4-2-6-18(10-16)21-26-12-20(27-21)17-5-3-7-19(11-17)22(23,24)25/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334027
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES CC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C22H23Cl2N3/c1-15-8-10-27(11-9-15)14-16-4-2-5-17(12-16)22-25-13-20(26-22)18-6-3-7-19(23)21(18)24/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334036
PNG
(4-(3-(1-phenyl-4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(c(n1)-c1cccc(CN2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C27H24F3N3O/c28-27(29,30)23-9-5-7-21(17-23)25-19-33(24-10-2-1-3-11-24)26(31-25)22-8-4-6-20(16-22)18-32-12-14-34-15-13-32/h1-11,16-17,19H,12-15,18H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334024
PNG
(4-(3-(4-(3-bromophenyl)-1H-imidazol-2-yl)benzyl)mo...)
Show SMILES Brc1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C20H20BrN3O/c21-18-6-2-4-16(12-18)19-13-22-20(23-19)17-5-1-3-15(11-17)14-24-7-9-25-10-8-24/h1-6,11-13H,7-10,14H2,(H,22,23)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334044
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES Clc1cccc(-c2c[nH]c(n2)-c2cccc(CN3CCCCC3)c2)c1Cl
Show InChI InChI=1S/C21H21Cl2N3/c22-18-9-5-8-17(20(18)23)19-13-24-21(25-19)16-7-4-6-15(12-16)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,25)
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n/an/an/an/a 1.26E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334024
PNG
(4-(3-(4-(3-bromophenyl)-1H-imidazol-2-yl)benzyl)mo...)
Show SMILES Brc1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C20H20BrN3O/c21-18-6-2-4-16(12-18)19-13-22-20(23-19)17-5-1-3-15(11-17)14-24-7-9-25-10-8-24/h1-6,11-13H,7-10,14H2,(H,22,23)
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n/an/an/an/a 665n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334026
PNG
(1-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)-...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H21ClFN3/c22-18-6-2-4-16(12-18)20-13-24-21(25-20)17-5-1-3-15(11-17)14-26-9-7-19(23)8-10-26/h1-6,11-13,19H,7-10,14H2,(H,24,25)
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334028
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H20Cl2FN3/c22-18-6-2-5-17(20(18)23)19-12-25-21(26-19)15-4-1-3-14(11-15)13-27-9-7-16(24)8-10-27/h1-6,11-12,16H,7-10,13H2,(H,25,26)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334031
PNG
(4-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-y...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H22FN3O2/c1-26-17-5-6-19(22)18(12-17)20-13-23-21(24-20)16-4-2-3-15(11-16)14-25-7-9-27-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24)
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334034
PNG
(4-fluoro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC1CCN(Cc2ccccc2-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H21F4N3/c23-18-8-10-29(11-9-18)14-16-4-1-2-7-19(16)21-27-13-20(28-21)15-5-3-6-17(12-15)22(24,25)26/h1-7,12-13,18H,8-11,14H2,(H,27,28)
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334043
PNG
(1-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)p...)
Show SMILES Clc1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H22ClN3/c22-19-9-5-7-17(13-19)20-14-23-21(24-20)18-8-4-6-16(12-18)15-25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11,15H2,(H,23,24)
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n/an/an/an/a 1.06E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334047
PNG
(1-(3-(4-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl...)
Show SMILES CCOc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C23H26FN3O/c1-2-28-19-9-10-21(24)20(14-19)22-15-25-23(26-22)18-8-6-7-17(13-18)16-27-11-4-3-5-12-27/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,25,26)
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n/an/an/an/a 87n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334012
PNG
(4-(3-(1-isopropyl-4-(3-(trifluoromethyl)phenyl)-1H...)
Show SMILES CC(C)n1cc(nc1-c1cccc(CN2CCOCC2)c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3O/c1-17(2)30-16-22(19-6-4-8-21(14-19)24(25,26)27)28-23(30)20-7-3-5-18(13-20)15-29-9-11-31-12-10-29/h3-8,13-14,16-17H,9-12,15H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334020
PNG
(4-fluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H21F4N3/c23-19-7-9-29(10-8-19)14-15-3-1-5-17(11-15)21-27-13-20(28-21)16-4-2-6-18(12-16)22(24,25)26/h1-6,11-13,19H,7-10,14H2,(H,27,28)
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n/an/an/an/a 2.29E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334025
PNG
(4-(3-(4-(3-chlorophenyl)-1H-imidazol-2-yl)benzyl)-...)
Show SMILES CC1CN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2)CCO1
Show InChI InChI=1S/C21H22ClN3O/c1-15-13-25(8-9-26-15)14-16-4-2-6-18(10-16)21-23-12-20(24-21)17-5-3-7-19(22)11-17/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,23,24)
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n/an/an/an/a 3.25E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334028
PNG
(1-(3-(4-(2,3-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES FC1CCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H20Cl2FN3/c22-18-6-2-5-17(20(18)23)19-12-25-21(26-19)15-4-1-3-14(11-15)13-27-9-7-16(24)8-10-27/h1-6,11-12,16H,7-10,13H2,(H,25,26)
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n/an/an/an/a 1.29E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334030
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-4-methoxyphenyl)-1H...)
Show SMILES COc1ccc(-c2c[nH]c(n2)-c2cccc(CN3CCC(F)(F)CC3)c2)c(F)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-18(19(23)12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334032
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-19(23)18(12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334034
PNG
(4-fluoro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES FC1CCN(Cc2ccccc2-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H21F4N3/c23-18-8-10-29(11-9-18)14-16-4-1-2-7-19(16)21-27-13-20(28-21)15-5-3-6-17(12-15)22(24,25)26/h1-7,12-13,18H,8-11,14H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334012
PNG
(4-(3-(1-isopropyl-4-(3-(trifluoromethyl)phenyl)-1H...)
Show SMILES CC(C)n1cc(nc1-c1cccc(CN2CCOCC2)c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3O/c1-17(2)30-16-22(19-6-4-8-21(14-19)24(25,26)27)28-23(30)20-7-3-5-18(13-20)15-29-9-11-31-12-10-29/h3-8,13-14,16-17H,9-12,15H2,1-2H3
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n/an/an/an/a 218n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334038
PNG
(4-(3-(1-(phenylsulfonyl)-4-(3-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(c(n1)-c1cccc(CN2CCOCC2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H24F3N3O3S/c28-27(29,30)23-9-5-7-21(17-23)25-19-33(37(34,35)24-10-2-1-3-11-24)26(31-25)22-8-4-6-20(16-22)18-32-12-14-36-15-13-32/h1-11,16-17,19H,12-15,18H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334040
PNG
(3-methyl-1-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CC1CCCN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3N3/c1-16-5-4-10-29(14-16)15-17-6-2-8-19(11-17)22-27-13-21(28-22)18-7-3-9-20(12-18)23(24,25)26/h2-3,6-9,11-13,16H,4-5,10,14-15H2,1H3,(H,27,28)
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n/an/an/an/a 70n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334032
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-19(23)18(12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334045
PNG
(1-(3-(4-(2,4-dichlorophenyl)-1H-imidazol-2-yl)benz...)
Show SMILES Clc1ccc(-c2c[nH]c(n2)-c2cccc(CN3CCCCC3)c2)c(Cl)c1
Show InChI InChI=1S/C21H21Cl2N3/c22-17-7-8-18(19(23)12-17)20-13-24-21(25-20)16-6-4-5-15(11-16)14-26-9-2-1-3-10-26/h4-8,11-13H,1-3,9-10,14H2,(H,24,25)
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334047
PNG
(1-(3-(4-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl...)
Show SMILES CCOc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C23H26FN3O/c1-2-28-19-9-10-21(24)20(14-19)22-15-25-23(26-22)18-8-6-7-17(13-18)16-27-11-4-3-5-12-27/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,25,26)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%