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PubMed code 21669533

Compile data set for download or QSAR
Found 26 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))
BDBM50348115
PNG
(CHEMBL1800654)
Show SMILES CC(C)S(=O)(=O)c1ccc2n(CC3CC3)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348114
PNG
(CHEMBL1800653)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C20H33N3O3S/c1-19(2,3)13-18-21-16-12-15(27(25,26)14-20(4,5)24)8-9-17(16)23(18)11-10-22(6)7/h8-9,12,24H,10-11,13-14H2,1-7H3
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>1.94E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348124
PNG
(CHEMBL1800170)
Show SMILES CCCc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)CC
Show InChI InChI=1S/C16H22N2O2S/c1-3-5-16-17-14-10-13(21(19,20)4-2)8-9-15(14)18(16)11-12-6-7-12/h8-10,12H,3-7,11H2,1-2H3
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n/an/an/an/a 199n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348134
PNG
(CHEMBL1800174)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C1(C)CC1
Show InChI InChI=1S/C17H22N2O2S/c1-3-22(20,21)13-6-7-15-14(10-13)18-16(17(2)8-9-17)19(15)11-12-4-5-12/h6-7,10,12H,3-5,8-9,11H2,1-2H3
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n/an/an/an/a 51n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348115
PNG
(CHEMBL1800654)
Show SMILES CC(C)S(=O)(=O)c1ccc2n(CC3CC3)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3
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n/an/an/an/a 3.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348116
PNG
(CHEMBL1800655)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H30N2O2S/c1-19(2,3)12-18-21-16-11-15(25(23,24)20(4,5)6)9-10-17(16)22(18)13-14-7-8-14/h9-11,14H,7-8,12-13H2,1-6H3
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n/an/an/an/a 0.430n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348127
PNG
(CHEMBL1800173)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C1CCCC1
Show InChI InChI=1S/C18H24N2O2S/c1-2-23(21,22)15-9-10-17-16(11-15)19-18(14-5-3-4-6-14)20(17)12-13-7-8-13/h9-11,13-14H,2-8,12H2,1H3
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n/an/an/an/a 25n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348118
PNG
(CHEMBL1800164)
Show SMILES CN(C)CCS(=O)(=O)c1ccc2n(CC3CC3)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C20H31N3O2S/c1-20(2,3)13-19-21-17-12-16(26(24,25)11-10-22(4)5)8-9-18(17)23(19)14-15-6-7-15/h8-9,12,15H,6-7,10-11,13-14H2,1-5H3
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n/an/an/an/a 32n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
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n/an/an/an/a 2.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348123
PNG
(CHEMBL1800169)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)C
Show InChI InChI=1S/C16H22N2O2S/c1-4-21(19,20)13-7-8-15-14(9-13)17-16(11(2)3)18(15)10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3
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n/an/an/an/a 132n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348126
PNG
(CHEMBL1800172)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C1CCC1
Show InChI InChI=1S/C17H22N2O2S/c1-2-22(20,21)14-8-9-16-15(10-14)18-17(13-4-3-5-13)19(16)11-12-6-7-12/h8-10,12-13H,2-7,11H2,1H3
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n/an/an/an/a 82n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348128
PNG
(CHEMBL1800175)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C1(C)CCCC1
Show InChI InChI=1S/C19H26N2O2S/c1-3-24(22,23)15-8-9-17-16(12-15)20-18(19(2)10-4-5-11-19)21(17)13-14-6-7-14/h8-9,12,14H,3-7,10-11,13H2,1-2H3
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n/an/an/an/a 9.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348130
PNG
(CHEMBL1800177)
Show SMILES CCS(=O)(=O)c1ccc2n(C[C@@H]3CCCO3)c(nc2c1)C(C)(C)C |r|
Show InChI InChI=1S/C18H26N2O3S/c1-5-24(21,22)14-8-9-16-15(11-14)19-17(18(2,3)4)20(16)12-13-7-6-10-23-13/h8-9,11,13H,5-7,10,12H2,1-4H3/t13-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
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n/an/an/an/a>10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor by functional assay


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348117
PNG
(CHEMBL1800163)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C18H26N2O2S/c1-5-23(21,22)14-8-9-16-15(10-14)19-17(11-18(2,3)4)20(16)12-13-6-7-13/h8-10,13H,5-7,11-12H2,1-4H3
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n/an/an/an/a 2.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348125
PNG
(CHEMBL1800171)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(CC3CC3)nc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-22(20,21)14-7-8-16-15(10-14)18-17(9-12-3-4-12)19(16)11-13-5-6-13/h7-8,10,12-13H,2-6,9,11H2,1H3
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n/an/an/an/a 425n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348129
PNG
(CHEMBL1800176)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(CCC(C)C)nc2c1
Show InChI InChI=1S/C18H26N2O2S/c1-4-23(21,22)15-8-9-17-16(11-15)19-18(10-5-13(2)3)20(17)12-14-6-7-14/h8-9,11,13-14H,4-7,10,12H2,1-3H3
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n/an/an/an/a 67n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348131
PNG
(CHEMBL1800178)
Show SMILES CCS(=O)(=O)c1ccc2n(C3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C16H22N2O2S/c1-5-21(19,20)12-8-9-14-13(10-12)17-15(16(2,3)4)18(14)11-6-7-11/h8-11H,5-7H2,1-4H3
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n/an/an/an/a 106n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348114
PNG
(CHEMBL1800653)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C20H33N3O3S/c1-19(2,3)13-18-21-16-12-15(27(25,26)14-20(4,5)24)8-9-17(16)23(18)11-10-22(6)7/h8-9,12,24H,10-11,13-14H2,1-7H3
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n/an/an/an/a 12n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348121
PNG
(CHEMBL1800167)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c1-23(2,3)14-22-24-20-13-19(11-12-21(20)25(22)15-17-9-10-17)28(26,27)16-18-7-5-4-6-8-18/h4-8,11-13,17H,9-10,14-16H2,1-3H3
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n/an/an/an/a 6.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348133
PNG
(CHEMBL1800180)
Show SMILES CCS(=O)(=O)c1ccc2n(CCN(C)C)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H27N3O2S/c1-7-23(21,22)13-8-9-15-14(12-13)18-16(17(2,3)4)20(15)11-10-19(5)6/h8-9,12H,7,10-11H2,1-6H3
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n/an/an/an/a 39n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348119
PNG
(CHEMBL1800165)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C20H30N2O3S/c1-19(2,3)11-18-21-16-10-15(26(24,25)13-20(4,5)23)8-9-17(16)22(18)12-14-6-7-14/h8-10,14,23H,6-7,11-13H2,1-5H3
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n/an/an/an/a 3.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348120
PNG
(CHEMBL1800166)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C(C)(C)CO
Show InChI InChI=1S/C20H30N2O3S/c1-19(2,3)11-18-21-16-10-15(26(24,25)20(4,5)13-23)8-9-17(16)22(18)12-14-6-7-14/h8-10,14,23H,6-7,11-13H2,1-5H3
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n/an/an/an/a 1.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348132
PNG
(CHEMBL1800179)
Show SMILES CCS(=O)(=O)c1ccc2n(CCOC(F)(F)F)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C16H21F3N2O3S/c1-5-25(22,23)11-6-7-13-12(10-11)20-14(15(2,3)4)21(13)8-9-24-16(17,18)19/h6-7,10H,5,8-9H2,1-4H3
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n/an/an/an/a 5.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%