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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50042438   
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))
BDBM50426120
PNG
(CHEMBL2316285)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C20H30N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h13,15H,4-12H2,1-3H3,(H,21,26)
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n/an/an/an/a 323n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426119
PNG
(CHEMBL2316286)
Show SMILES CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C19H28N4O2/c1-4-5-11-23-12-15(18(25)20-14-9-7-6-8-10-14)17(24)16-13(2)21-22(3)19(16)23/h12,14H,4-11H2,1-3H3,(H,20,25)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426122
PNG
(CHEMBL2316261)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C21H29N5O2/c1-2-3-4-5-25-12-17(19(28)26-20(25)22-13-23-26)18(27)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16H,2-11H2,1H3,(H,24,27)
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n/an/an/an/a 87n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426082
PNG
(CHEMBL2316259)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H34N2O2S/c1-4-5-6-7-27-14-20(22(28)21-15(2)16(3)30-24(21)27)23(29)26-25-11-17-8-18(12-25)10-19(9-17)13-25/h14,17-19H,4-13H2,1-3H3,(H,26,29)
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n/an/an/an/a 34n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426083
PNG
(CHEMBL2316284)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C24H32N2O2S/c1-3-4-5-6-26-13-19(21(27)20-15(2)14-29-23(20)26)22(28)25-24-10-16-7-17(11-24)9-18(8-16)12-24/h13-14,16-18H,3-12H2,1-2H3,(H,25,28)
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n/an/an/an/a 31n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426084
PNG
(CHEMBL2316283)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C21H30N2O2S/c1-3-4-9-12-23-13-17(19(24)18-15(2)14-26-21(18)23)20(25)22-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,22,25)
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n/an/an/an/a 65n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
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n/an/an/an/a 107n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426086
PNG
(CHEMBL2316281)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C23H31N3O3/c1-3-4-5-6-26-13-18(20(27)19-14(2)25-29-22(19)26)21(28)24-23-10-15-7-16(11-23)9-17(8-15)12-23/h13,15-17H,3-12H2,1-2H3,(H,24,28)
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n/an/an/an/a 83n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426087
PNG
(CHEMBL2316280)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc12
Show InChI InChI=1S/C20H29N3O3/c1-3-4-9-12-23-13-16(18(24)17-14(2)22-26-20(17)23)19(25)21-15-10-7-5-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,21,25)
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n/an/an/an/a 35n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426088
PNG
(CHEMBL2316279)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc12
Show InChI InChI=1S/C19H27N3O3/c1-3-4-8-11-22-12-15(17(23)16-13(2)21-25-19(16)22)18(24)20-14-9-6-5-7-10-14/h12,14H,3-11H2,1-2H3,(H,20,24)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426093
PNG
(CHEMBL2316274)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C23H32N4O2/c1-3-4-5-6-27-14-19(20(28)18-13-24-26(2)22(18)27)21(29)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h13-17H,3-12H2,1-2H3,(H,25,29)
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n/an/an/an/a 41n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426094
PNG
(CHEMBL2316273)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c12
Show InChI InChI=1S/C20H30N4O2/c1-3-4-9-12-24-14-17(18(25)16-13-21-23(2)20(16)24)19(26)22-15-10-7-5-6-8-11-15/h13-15H,3-12H2,1-2H3,(H,22,26)
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n/an/an/an/a 404n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426095
PNG
(CHEMBL2316272)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c12
Show InChI InChI=1S/C19H28N4O2/c1-3-4-8-11-23-13-16(17(24)15-12-20-22(2)19(15)23)18(25)21-14-9-6-5-7-10-14/h12-14H,3-11H2,1-2H3,(H,21,25)
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n/an/an/an/a 872n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426096
PNG
(CHEMBL2316271)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(nn(C)c12)C(C)(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C27H40N4O2/c1-6-7-8-9-31-16-20(22(32)21-23(26(2,3)4)29-30(5)25(21)31)24(33)28-27-13-17-10-18(14-27)12-19(11-17)15-27/h16-19H,6-15H2,1-5H3,(H,28,33)
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n/an/an/an/a 1.76E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426098
PNG
(CHEMBL2316269)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H36N4O2/c1-4-6-7-8-29-15-19(22(30)21-20(5-2)27-28(3)24(21)29)23(31)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h15-18H,4-14H2,1-3H3,(H,26,31)
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n/an/an/an/a 162n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426099
PNG
(CHEMBL2316268)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-6-10-13-25-14-16(20(27)22-15-11-8-7-9-12-15)19(26)18-17(5-2)23-24(3)21(18)25/h14-15H,4-13H2,1-3H3,(H,22,27)
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n/an/an/an/a 2.35E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426103
PNG
(CHEMBL2316264)
Show SMILES CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C20H24N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,21,26)
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n/an/an/an/a 2.16E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426104
PNG
(CHEMBL2316301)
Show SMILES CCCCCn1cc(C(=O)NC(C)CCC(C)C)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H34N4O2/c1-7-8-9-12-25-13-17(20(27)22-15(4)11-10-14(2)3)19(26)18-16(5)23-24(6)21(18)25/h13-15H,7-12H2,1-6H3,(H,22,27)
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n/an/an/an/a 827n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426105
PNG
(CHEMBL2316300)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2c(C)nn(C)c12 |TLB:20:18:22:14.13.12,20:13:17.18.21:22,10:11:17:14.20.13,19:18:22:14.13.12,THB:12:13:17:21.11.22,12:11:17:14.20.13|
Show InChI InChI=1S/C26H38N4O2/c1-6-7-8-9-30-13-19(21(31)20-17(2)28-29(5)23(20)30)22(32)27-26-12-18-10-24(3,15-26)14-25(4,11-18)16-26/h13,18H,6-12,14-16H2,1-5H3,(H,27,32)
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n/an/an/an/a 45n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426106
PNG
(CHEMBL2316299)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C24H34N4O2/c1-4-5-6-7-28-14-19(21(29)20-15(2)26-27(3)23(20)28)22(30)25-24-11-16-8-17(12-24)10-18(9-16)13-24/h14,16-18H,4-13H2,1-3H3,(H,25,30)
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n/an/an/an/a 49n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426107
PNG
(CHEMBL2316298)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-5-10-13-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-16-11-8-6-7-9-12-16/h14,16H,4-13H2,1-3H3,(H,22,27)
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n/an/an/an/a 51n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426108
PNG
(CHEMBL2316297)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c12 |r,wU:11.10,14.14,(14.6,-37.76,;14.6,-36.22,;15.93,-35.45,;15.93,-33.91,;17.27,-33.14,;17.27,-31.6,;18.59,-30.84,;18.59,-29.3,;19.93,-28.53,;19.94,-26.99,;21.26,-29.31,;21.26,-30.85,;19.91,-31.61,;19.9,-33.15,;21.23,-33.93,;21.22,-35.47,;22.57,-33.16,;22.58,-31.62,;17.27,-28.52,;17.27,-26.98,;15.94,-29.3,;14.47,-28.82,;14,-27.36,;13.57,-30.07,;14.47,-31.31,;14,-32.78,;15.94,-30.84,)|
Show InChI InChI=1S/C21H32N4O2/c1-5-6-7-12-25-13-17(19(26)18-15(3)23-24(4)21(18)25)20(27)22-16-10-8-14(2)9-11-16/h13-14,16H,5-12H2,1-4H3,(H,22,27)/t14-,16+
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n/an/an/an/a 52n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426109
PNG
(CHEMBL2316296)
Show SMILES CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c12 |r,wU:11.10,wD:14.14,(2.29,-38.28,;2.29,-36.74,;3.63,-35.97,;3.63,-34.43,;4.96,-33.66,;4.96,-32.12,;6.29,-31.36,;6.29,-29.82,;7.63,-29.05,;7.63,-27.51,;8.96,-29.83,;8.95,-31.37,;10.28,-32.14,;10.26,-33.68,;8.93,-34.45,;8.92,-35.99,;7.6,-33.67,;7.61,-32.13,;4.96,-29.04,;4.96,-27.5,;3.63,-29.82,;2.17,-29.34,;1.69,-27.88,;1.26,-30.59,;2.17,-31.84,;1.69,-33.3,;3.63,-31.36,)|
Show InChI InChI=1S/C21H32N4O2/c1-5-6-7-12-25-13-17(19(26)18-15(3)23-24(4)21(18)25)20(27)22-16-10-8-14(2)9-11-16/h13-14,16H,5-12H2,1-4H3,(H,22,27)/t14-,16-
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n/an/an/an/a 58n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426110
PNG
(CHEMBL2316295)
Show SMILES CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27)
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n/an/an/an/a 1.56E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426113
PNG
(CHEMBL2316292)
Show SMILES Cc1nn(C)c2n(Cc3ccccc3)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28)
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n/an/an/an/a 3.82E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426114
PNG
(CHEMBL2316291)
Show SMILES CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-5-6-10-13-25-14-17(20(27)22-16-11-8-7-9-12-16)19(26)18-15(2)23-24(3)21(18)25/h14,16H,4-13H2,1-3H3,(H,22,27)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426117
PNG
(CHEMBL2316288)
Show SMILES Cc1nn(C)c2n(CC=C)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C18H24N4O2/c1-4-10-22-11-14(17(24)19-13-8-6-5-7-9-13)16(23)15-12(2)20-21(3)18(15)22/h4,11,13H,1,5-10H2,2-3H3,(H,19,24)
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n/an/an/an/a 587n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)