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PubMed code 19328683

Compile data set for download or QSAR
Found 22 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 1


(Homo sapiens (Human))
BDBM50259047
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259093
PNG
(1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-c1cccs1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H20Cl2N4OS/c1-13-18(20(27)24-25-9-3-2-4-10-25)23-26(19(13)17-6-5-11-28-17)16-8-7-14(21)12-15(16)22/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,27)
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n/an/an/an/a 7.55E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259091
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(22)12-15(16)23)20(14)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 2.59E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253704
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19BrCl2N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(21)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 400n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253755
PNG
(5-(5-Chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19Cl3N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 2.37E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259048
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C19H17Cl3N4O2S/c1-11-17(19(27)24-25-6-8-28-9-7-25)23-26(14-3-2-12(20)10-13(14)21)18(11)15-4-5-16(22)29-15/h2-5,10H,6-9H2,1H3,(H,24,27)
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n/an/an/an/a 690n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/an/a 240n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259091
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(22)12-15(16)23)20(14)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 540n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259049
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-N...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-12-20(22(30)27-28-10-13-3-2-4-14(13)11-28)26-29(17-6-5-15(23)9-16(17)24)21(12)18-7-8-19(25)31-18/h5-9,13-14H,2-4,10-11H2,1H3,(H,27,30)
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n/an/an/an/a 800n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259048
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C19H17Cl3N4O2S/c1-11-17(19(27)24-25-6-8-28-9-7-25)23-26(14-3-2-12(20)10-13(14)21)18(11)15-4-5-16(22)29-15/h2-5,10H,6-9H2,1H3,(H,24,27)
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n/an/an/an/a 7.43E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259006
PNG
(1-(2,4-dichlorophenyl)-5-(5-iodothiophen-2-yl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(I)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19Cl2IN4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 2.94E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259006
PNG
(1-(2,4-dichlorophenyl)-5-(5-iodothiophen-2-yl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(I)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19Cl2IN4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 320n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259093
PNG
(1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-c1cccs1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H20Cl2N4OS/c1-13-18(20(27)24-25-9-3-2-4-10-25)23-26(19(13)17-6-5-11-28-17)16-8-7-14(21)12-15(16)22/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,27)
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n/an/an/an/a 1.33E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259049
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-N...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-12-20(22(30)27-28-10-13-3-2-4-14(13)11-28)26-29(17-6-5-15(23)9-16(17)24)21(12)18-7-8-19(25)31-18/h5-9,13-14H,2-4,10-11H2,1H3,(H,27,30)
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n/an/an/an/a 1.57E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 1.28E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259092
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H21BrCl2N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(23)12-15(16)24)20(14)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 510n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253704
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19BrCl2N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(21)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 2.32E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253755
PNG
(5-(5-Chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19Cl3N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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n/an/an/an/a 580n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259047
PNG
(5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27)
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n/an/an/an/a 2.09E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259092
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H21BrCl2N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(23)12-15(16)24)20(14)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 1.95E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/an/a 3.12E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%