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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50395139'   
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))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
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3.74n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
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4.22n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
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16.2n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
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19.3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
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n/an/a 12.4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395139
PNG
(CHEMBL2163927)
Show SMILES CC(C)[C@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m1/s1
PDB

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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair