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PubMed code 25466177

Compile data set for download or QSAR
Found 24 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


(Rattus norvegicus (Rat))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat CB2 receptor


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039496
PNG
(CHEMBL3357338)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C(COC)COC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H31ClN6O2/c1-5-28-10-12-29(13-11-28)22-20-23(26-16(2)25-22)30(17(14-31-3)15-32-4)21(27-20)18-8-6-7-9-19(18)24/h6-9,17H,5,10-15H2,1-4H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039629
PNG
(CHEMBL3357340)
Show SMILES C[C@@H](CO)n1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl |r|
Show InChI InChI=1/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039662
PNG
(CHEMBL3357342)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CC(C)(C)O)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-14-23-19(27-11-9-26(4)10-12-27)17-20(24-14)28(13-21(2,3)29)18(25-17)15-7-5-6-8-16(15)22/h5-8,29H,9-13H2,1-4H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039496
PNG
(CHEMBL3357338)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C(COC)COC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H31ClN6O2/c1-5-28-10-12-29(13-11-28)22-20-23(26-16(2)25-22)30(17(14-31-3)15-32-4)21(27-20)18-8-6-7-9-19(18)24/h6-9,17H,5,10-15H2,1-4H3
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n/an/an/an/a 5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039497
PNG
(CHEMBL3139138)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3
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n/an/an/an/a 6.80n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039662
PNG
(CHEMBL3357342)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CC(C)(C)O)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-14-23-19(27-11-9-26(4)10-12-27)17-20(24-14)28(13-21(2,3)29)18(25-17)15-7-5-6-8-16(15)22/h5-8,29H,9-13H2,1-4H3
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n/an/an/an/a 5.90n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039545
PNG
(CHEMBL3357337)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN6O/c1-4-27-11-13-28(14-12-27)21-19-22(25-16(2)24-21)29(10-7-15-30-3)20(26-19)17-8-5-6-9-18(17)23/h5-6,8-9H,4,7,10-15H2,1-3H3
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n/an/an/an/a 4.30n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039495
PNG
(CHEMBL3357339)
Show SMILES C[C@H](CO)n1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl |r|
Show InChI InChI=1/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039629
PNG
(CHEMBL3357340)
Show SMILES C[C@@H](CO)n1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl |r|
Show InChI InChI=1/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/s2
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n/an/an/an/a 13n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039666
PNG
(CHEMBL3139150)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCNC(C)=O)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClN7O/c1-14-24-20(28-12-10-27(3)11-13-28)18-21(25-14)29(9-8-23-15(2)30)19(26-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3,(H,23,30)
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n/an/an/an/a 4.66E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039630
PNG
(CHEMBL3357341)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(c(nc12)-c1ccccc1Cl)C(C)(C)CO
Show InChI InChI=1S/C21H27ClN6O/c1-14-23-19(27-11-9-26(4)10-12-27)17-20(24-14)28(21(2,3)13-29)18(25-17)15-7-5-6-8-16(15)22/h5-8,29H,9-13H2,1-4H3
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n/an/an/an/a 13n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039495
PNG
(CHEMBL3357339)
Show SMILES C[C@H](CO)n1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl |r|
Show InChI InChI=1/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/s2
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n/an/an/an/a 22n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50039666
PNG
(CHEMBL3139150)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCNC(C)=O)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClN7O/c1-14-24-20(28-12-10-27(3)11-13-28)18-21(25-14)29(9-8-23-15(2)30)19(26-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3,(H,23,30)
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n/an/an/an/a 54n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039545
PNG
(CHEMBL3357337)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN6O/c1-4-27-11-13-28(14-12-27)21-19-22(25-16(2)24-21)29(10-7-15-30-3)20(26-19)17-8-5-6-9-18(17)23/h5-6,8-9H,4,7,10-15H2,1-3H3
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n/an/an/an/a 1.38E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50387876
PNG
(CHEMBL2057802)
Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
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n/an/an/an/a 8.10n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
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n/an/an/an/a 6.16E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387876
PNG
(CHEMBL2057802)
Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)
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UniChem
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n/an/an/an/a 48n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039630
PNG
(CHEMBL3357341)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(c(nc12)-c1ccccc1Cl)C(C)(C)CO
Show InChI InChI=1S/C21H27ClN6O/c1-14-23-19(27-11-9-26(4)10-12-27)17-20(24-14)28(21(2,3)13-29)18(25-17)15-7-5-6-8-16(15)22/h5-8,29H,9-13H2,1-4H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50039497
PNG
(CHEMBL3139138)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%