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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50239215'   
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))
BDBM50239215
PNG
(4-methyl-3-(morpholinosulfonyl)-N-(2,2,4,4-tetrame...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC(C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(18(24)22-19(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,19H,10-13H2,1-7H3,(H,22,24)
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34n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50239215
PNG
(4-methyl-3-(morpholinosulfonyl)-N-(2,2,4,4-tetrame...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC(C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(18(24)22-19(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,19H,10-13H2,1-7H3,(H,22,24)
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50239215
PNG
(4-methyl-3-(morpholinosulfonyl)-N-(2,2,4,4-tetrame...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC(C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(18(24)22-19(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,19H,10-13H2,1-7H3,(H,22,24)
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34n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50239215
PNG
(4-methyl-3-(morpholinosulfonyl)-N-(2,2,4,4-tetrame...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC(C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(18(24)22-19(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,19H,10-13H2,1-7H3,(H,22,24)
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n/an/an/an/a 21n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50239215
PNG
(4-methyl-3-(morpholinosulfonyl)-N-(2,2,4,4-tetrame...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC(C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(18(24)22-19(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,19H,10-13H2,1-7H3,(H,22,24)
PDB

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n/an/an/an/a 21n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair