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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50265755'   
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))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 1.5 hrs by liquid scintillation...


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair