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PubMed code 17672444

Compile data set for download or QSAR
Found 22 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


(Rattus norvegicus (rat))
BDBM50219076
PNG
((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219078
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopentyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H38O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h8,11,13,17-18,21-22,28H,5-7,9-10,12,14-16H2,1-4H3/b13-8-/t21-,22-/m1/s1
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0.720n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219072
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclobutyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h8,10,12,16-17,20-21,27H,5-7,9,11,13-15H2,1-4H3/b12-8-/t20-,21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219072
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclobutyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h8,10,12,16-17,20-21,27H,5-7,9,11,13-15H2,1-4H3/b12-8-/t20-,21-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219074
PNG
((6aR-trans)-3-(1-hexylcyclobutyl)-6a,7,10,10a-tetr...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219073
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopropyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h8-9,11,15-16,19-20,26H,5-7,10,12-14H2,1-4H3/b11-8-/t19-,20-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219073
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopropyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h8-9,11,15-16,19-20,26H,5-7,10,12-14H2,1-4H3/b11-8-/t19-,20-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219078
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopentyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H38O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h8,11,13,17-18,21-22,28H,5-7,9-10,12,14-16H2,1-4H3/b13-8-/t21-,22-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219071
PNG
((6aR-trans)-3-(1-heptylcyclobutyl)-6a,7,10,10a-tet...)
Show SMILES CCCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-9-13-27(14-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219077
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclohexyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H40O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h9,12,14,18-19,22-23,29H,5-8,10-11,13,15-17H2,1-4H3/b14-9-/t22-,23-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219076
PNG
((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219077
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclohexyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H40O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h9,12,14,18-19,22-23,29H,5-8,10-11,13,15-17H2,1-4H3/b14-9-/t22-,23-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50080030
PNG
((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-10,12-13H2,1-4H3/t18-,19-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219070
PNG
((6aR-trans)-3-(1-heptylcyclopentyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H42O2/c1-5-6-7-8-9-14-28(15-10-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h12,18-19,22-23,29H,5-11,13-17H2,1-4H3/t22-,23-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219074
PNG
((6aR-trans)-3-(1-hexylcyclobutyl)-6a,7,10,10a-tetr...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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11.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219069
PNG
((6aR-trans)-3-(1-heptylcyclohexyl)-6a,7,10,10a-tet...)
Show SMILES CCCCCCCC1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C29H44O2/c1-5-6-7-8-10-15-29(16-11-9-12-17-29)22-19-25(30)27-23-18-21(2)13-14-24(23)28(3,4)31-26(27)20-22/h13,19-20,23-24,30H,5-12,14-18H2,1-4H3/t23-,24-/m1/s1
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13.6n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219075
PNG
((6aR-trans)-3-(1-hexylcyclohexyl)-6a,7,10,10a-tetr...)
Show SMILES CCCCCCC1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H42O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h12,18-19,22-23,29H,5-11,13-17H2,1-4H3/t22-,23-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50080030
PNG
((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-10,12-13H2,1-4H3/t18-,19-/m1/s1
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20.8n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219075
PNG
((6aR-trans)-3-(1-hexylcyclohexyl)-6a,7,10,10a-tetr...)
Show SMILES CCCCCCC1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H42O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h12,18-19,22-23,29H,5-11,13-17H2,1-4H3/t22-,23-/m1/s1
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23.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219070
PNG
((6aR-trans)-3-(1-heptylcyclopentyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H42O2/c1-5-6-7-8-9-14-28(15-10-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h12,18-19,22-23,29H,5-11,13-17H2,1-4H3/t22-,23-/m1/s1
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45.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219071
PNG
((6aR-trans)-3-(1-heptylcyclobutyl)-6a,7,10,10a-tet...)
Show SMILES CCCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-9-13-27(14-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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52.3n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219069
PNG
((6aR-trans)-3-(1-heptylcyclohexyl)-6a,7,10,10a-tet...)
Show SMILES CCCCCCCC1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C29H44O2/c1-5-6-7-8-10-15-29(16-11-9-12-17-29)22-19-25(30)27-23-18-21(2)13-14-24(23)28(3,4)31-26(27)20-22/h13,19-20,23-24,30H,5-12,14-18H2,1-4H3/t23-,24-/m1/s1
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143n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%