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PubMed code 17521177

Compile data set for download or QSAR
Found 90 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 1


(Homo sapiens (Human))
BDBM50067742
PNG
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1|
Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1
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PubMed
0.200n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1|
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50121425
PNG
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)
Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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0.290n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213607
PNG
((6aR,10aR)-3-(2-cyclopentylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCC1 |t:1|
Show InChI InChI=1S/C24H34O2/c1-15-10-11-19-18(12-15)22-20(25)13-17(14-21(22)26-24(19,4)5)23(2,3)16-8-6-7-9-16/h10,13-14,16,18-19,25H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213607
PNG
((6aR,10aR)-3-(2-cyclopentylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCC1 |t:1|
Show InChI InChI=1S/C24H34O2/c1-15-10-11-19-18(12-15)22-20(25)13-17(14-21(22)26-24(19,4)5)23(2,3)16-8-6-7-9-16/h10,13-14,16,18-19,25H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213599
PNG
((6aR,10aR)-3-(6-bromo-2-methylhexan-2-yl)-6,6,9-tr...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCBr |t:1|
Show InChI InChI=1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O2/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/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130623
PNG
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C27H40O2/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/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133544
PNG
((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1|
Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133544
PNG
((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1|
Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50121428
PNG
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)
Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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0.710n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O2/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/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.860n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133546
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1|
Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1
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PubMed
0.910n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1|
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50121428
PNG
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)
Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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1.03n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067737
PNG
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1|
Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067740
PNG
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1|
Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50121425
PNG
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)
Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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1.27n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067737
PNG
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1|
Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067740
PNG
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1|
Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1
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1.75n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130626
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...)
Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21|
Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)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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1.80n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130623
PNG
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C27H40O2/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/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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1.92n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213609
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...)
Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1
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2.17n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213612
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methylheptan-2-yl)...)
Show SMILES CCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C24H36O2/c1-7-8-9-12-23(3,4)17-14-20(25)22-18-13-16(2)10-11-19(18)24(5,6)26-21(22)15-17/h10,14-15,18-19,25H,7-9,11-13H2,1-6H3/t18-,19-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067742
PNG
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1|
Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067730
PNG
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NN1CCCCC1 |t:1|
Show InChI InChI=1S/C29H44N2O3/c1-20-12-13-23-22(17-20)27-24(32)18-21(19-25(27)34-29(23,4)5)28(2,3)14-8-7-11-26(33)30-31-15-9-6-10-16-31/h12,18-19,22-23,32H,6-11,13-17H2,1-5H3,(H,30,33)/t22-,23-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213609
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...)
Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130626
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...)
Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21|
Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)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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3.60n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179985
PNG
(1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCCC1)C#N |t:1|
Show InChI InChI=1S/C23H29NO2/c1-15-7-8-18-17(11-15)21-19(25)12-16(13-20(21)26-22(18,2)3)23(14-24)9-5-4-6-10-23/h7,12-13,17-18,25H,4-6,8-11H2,1-3H3/t17-,18-/m1/s1
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3.86n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213611
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methylhexan-2-yl)-...)
Show SMILES CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:15|
Show InChI InChI=1S/C23H34O2/c1-7-8-11-22(3,4)16-13-19(24)21-17-12-15(2)9-10-18(17)23(5,6)25-20(21)14-16/h9,13-14,17-18,24H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067730
PNG
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NN1CCCCC1 |t:1|
Show InChI InChI=1S/C29H44N2O3/c1-20-12-13-23-22(17-20)27-24(32)18-21(19-25(27)34-29(23,4)5)28(2,3)14-8-7-11-26(33)30-31-15-9-6-10-16-31/h12,18-19,22-23,32H,6-11,13-17H2,1-5H3,(H,30,33)/t22-,23-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179985
PNG
(1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCCC1)C#N |t:1|
Show InChI InChI=1S/C23H29NO2/c1-15-7-8-18-17(11-15)21-19(25)12-16(13-20(21)26-22(18,2)3)23(14-24)9-5-4-6-10-23/h7,12-13,17-18,25H,4-6,8-11H2,1-3H3/t17-,18-/m1/s1
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8.26n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179978
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(naphthalen-1-yl)-6a,...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1cccc2ccccc12 |t:1|
Show InChI InChI=1S/C26H26O2/c1-16-11-12-22-21(13-16)25-23(27)14-18(15-24(25)28-26(22,2)3)20-10-6-8-17-7-4-5-9-19(17)20/h4-11,14-15,21-22,27H,12-13H2,1-3H3/t21-,22-/m1/s1
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9.39n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213614
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)...)
Show SMILES CCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C22H32O2/c1-7-10-21(3,4)15-12-18(23)20-16-11-14(2)8-9-17(16)22(5,6)24-19(20)13-15/h8,12-13,16-17,23H,7,9-11H2,1-6H3/t16-,17-/m1/s1
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10.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179978
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(naphthalen-1-yl)-6a,...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1cccc2ccccc12 |t:1|
Show InChI InChI=1S/C26H26O2/c1-16-11-12-22-21(13-16)25-23(27)14-18(15-24(25)28-26(22,2)3)20-10-6-8-17-7-4-5-9-19(17)20/h4-11,14-15,21-22,27H,12-13H2,1-3H3/t21-,22-/m1/s1
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11.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133546
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1|
Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1
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12.3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213613
PNG
((6aR,10aR)-3-tert-butyl-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C |t:1|
Show InChI InChI=1S/C20H28O2/c1-12-7-8-15-14(9-12)18-16(21)10-13(19(2,3)4)11-17(18)22-20(15,5)6/h7,10-11,14-15,21H,8-9H2,1-6H3/t14-,15-/m1/s1
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14n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133543
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1|
Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1
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17.3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133543
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1|
Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1
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17.6n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213603
PNG
((-)5-N3-delta-THC3-(5-Azido-pentyl)-6,6,9-trimethy...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCN=[N+]=[N-])cc1OC2(C)C |t:1|
Show InChI InChI=1S/C21H29N3O2/c1-14-8-9-17-16(11-14)20-18(25)12-15(7-5-4-6-10-23-24-22)13-19(20)26-21(17,2)3/h8,12-13,16-17,25H,4-7,9-11H2,1-3H3/t16-,17-/m1/s1
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19n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130625
PNG
((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...)
Show SMILES CCCCCCC1(SC(C)C(C)S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:22|
Show InChI InChI=1S/C27H40O2S2/c1-7-8-9-10-13-27(30-18(3)19(4)31-27)20-15-23(28)25-21-14-17(2)11-12-22(21)26(5,6)29-24(25)16-20/h11,15-16,18-19,21-22,28H,7-10,12-14H2,1-6H3/t18?,19?,21-,22-,27?/m1/s1
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19.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50063886
PNG
(1-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CCCCCCC(=O)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C23H32O3/c1-5-6-7-8-9-19(24)16-13-20(25)22-17-12-15(2)10-11-18(17)23(3,4)26-21(22)14-16/h10,13-14,17-18,25H,5-9,11-12H2,1-4H3/t17-,18-/m1/s1
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21.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
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 |c:15|
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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22n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213601
PNG
((6aR,10aR)-6,6,9-trimethyl-3-phenoxy-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Oc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C22H24O3/c1-14-9-10-18-17(11-14)21-19(23)12-16(13-20(21)25-22(18,2)3)24-15-7-5-4-6-8-15/h4-9,12-13,17-18,23H,10-11H2,1-3H3/t17-,18-/m1/s1
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23.6n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179980
PNG
(1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1|
Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1
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25.2n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179980
PNG
(1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1|
Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1
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27.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130625
PNG
((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...)
Show SMILES CCCCCCC1(SC(C)C(C)S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:22|
Show InChI InChI=1S/C27H40O2S2/c1-7-8-9-10-13-27(30-18(3)19(4)31-27)20-15-23(28)25-21-14-17(2)11-12-22(21)26(5,6)29-24(25)16-20/h11,15-16,18-19,21-22,28H,7-10,12-14H2,1-6H3/t18?,19?,21-,22-,27?/m1/s1
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32.3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213596
PNG
(5-(2,2-dichloro-1-hexyl-cyclopropyl)-2-((R)-6-isop...)
Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18|
Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1
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32.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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39.3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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47.6n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213595
PNG
(5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18|
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
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50.4n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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51.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130622
PNG
((6aR,10aR)-3-(2-hexylbenzo[d][1,3]dithiol-2-yl)-6,...)
Show SMILES CCCCCCC1(Sc2ccccc2S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H36O2S2/c1-5-6-7-10-15-29(32-25-11-8-9-12-26(25)33-29)20-17-23(30)27-21-16-19(2)13-14-22(21)28(3,4)31-24(27)18-20/h8-9,11-13,17-18,21-22,30H,5-7,10,14-16H2,1-4H3/t21-,22-/m1/s1
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56.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179983
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(4-propyl-phenyl)-6a,...)
Show SMILES CCCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H30O2/c1-5-6-17-8-10-18(11-9-17)19-14-22(26)24-20-13-16(2)7-12-21(20)25(3,4)27-23(24)15-19/h7-11,14-15,20-21,26H,5-6,12-13H2,1-4H3/t20-,21-/m1/s1
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57.8n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213606
PNG
(5-(1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-met...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:20.22,t:16|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
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58.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213608
PNG
(5-(2,2-dibromo-1-hexyl-cyclopropyl)-2-((R)-6-isopr...)
Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18|
Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1
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63.3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133548
PNG
((6aR,10aR)-3-Benzyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C23H26O2/c1-15-9-10-19-18(11-15)22-20(24)13-17(12-16-7-5-4-6-8-16)14-21(22)25-23(19,2)3/h4-9,13-14,18-19,24H,10-12H2,1-3H3/t18-,19-/m1/s1
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67.6n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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71.8n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063886
PNG
(1-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CCCCCCC(=O)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C23H32O3/c1-5-6-7-8-9-19(24)16-13-20(25)22-17-12-15(2)10-11-18(17)23(3,4)26-21(22)14-16/h10,13-14,17-18,25H,5-9,11-12H2,1-4H3/t17-,18-/m1/s1
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83.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133548
PNG
((6aR,10aR)-3-Benzyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C23H26O2/c1-15-9-10-19-18(11-15)22-20(24)13-17(12-16-7-5-4-6-8-16)14-21(22)25-23(19,2)3/h4-9,13-14,18-19,24H,10-12H2,1-3H3/t18-,19-/m1/s1
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85.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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95.5n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213606
PNG
(5-(1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-met...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:20.22,t:16|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
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99.2n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130627
PNG
((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1|
Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/m1/s1
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103n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213600
PNG
(1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCC1)C#N |w:3.2,c:7|
Show InChI InChI=1S/C22H27NO2/c1-14(2)17-7-6-15(3)10-18(17)21-19(24)11-16(12-20(21)25)22(13-23)8-4-5-9-22/h10-12,17-18,24-25H,1,4-9H2,2-3H3/t17?,18-/m1/s1
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105n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50179983
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(4-propyl-phenyl)-6a,...)
Show SMILES CCCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H30O2/c1-5-6-17-8-10-18(11-9-17)19-14-22(26)24-20-13-16(2)7-12-21(20)25(3,4)27-23(24)15-19/h7-11,14-15,20-21,26H,5-6,12-13H2,1-4H3/t20-,21-/m1/s1
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108n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213597
PNG
(1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCCC1)C#N |w:3.2,c:7|
Show InChI InChI=1S/C23H29NO2/c1-15(2)18-8-7-16(3)11-19(18)22-20(25)12-17(13-21(22)26)23(14-24)9-5-4-6-10-23/h11-13,18-19,25-26H,1,4-10H2,2-3H3/t18?,19-/m1/s1
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111n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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119n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213595
PNG
(5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18|
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
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136n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213610
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(4-methylpentyl)-6a,7...)
Show SMILES CC(C)CCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C22H32O2/c1-14(2)7-6-8-16-12-19(23)21-17-11-15(3)9-10-18(17)22(4,5)24-20(21)13-16/h9,12-14,17-18,23H,6-8,10-11H2,1-5H3/t17-,18-/m1/s1
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141n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130627
PNG
((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1|
Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/m1/s1
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168n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213608
PNG
(5-(2,2-dibromo-1-hexyl-cyclopropyl)-2-((R)-6-isopr...)
Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18|
Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1
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189n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213598
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7|
Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1
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222n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213604
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:16.17,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17?,18-/m1/s1
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230n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213600
PNG
(1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCC1)C#N |w:3.2,c:7|
Show InChI InChI=1S/C22H27NO2/c1-14(2)17-7-6-15(3)10-18(17)21-19(24)11-16(12-20(21)25)22(13-23)8-4-5-9-22/h10-12,17-18,24-25H,1,4-9H2,2-3H3/t17?,18-/m1/s1
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255n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130622
PNG
((6aR,10aR)-3-(2-hexylbenzo[d][1,3]dithiol-2-yl)-6,...)
Show SMILES CCCCCCC1(Sc2ccccc2S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H36O2S2/c1-5-6-7-10-15-29(32-25-11-8-9-12-26(25)33-29)20-17-23(30)27-21-16-19(2)13-14-22(21)28(3,4)31-24(27)18-20/h8-9,11-13,17-18,21-22,30H,5-7,10,14-16H2,1-4H3/t21-,22-/m1/s1
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257n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213601
PNG
((6aR,10aR)-6,6,9-trimethyl-3-phenoxy-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Oc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C22H24O3/c1-14-9-10-18-17(11-14)21-19(23)12-16(13-20(21)25-22(18,2)3)24-15-7-5-4-6-8-15/h4-9,12-13,17-18,23H,10-11H2,1-3H3/t17-,18-/m1/s1
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297n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213597
PNG
(1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCCC1)C#N |w:3.2,c:7|
Show InChI InChI=1S/C23H29NO2/c1-15(2)18-8-7-16(3)11-19(18)22-20(25)12-17(13-21(22)26)23(14-24)9-5-4-6-10-23/h11-13,18-19,25-26H,1,4-10H2,2-3H3/t18?,19-/m1/s1
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319n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213602
PNG
(4-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-4'-...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1ccc(C)cc1 |w:3.2,c:7|
Show InChI InChI=1S/C23H26O2/c1-14(2)19-10-7-16(4)11-20(19)23-21(24)12-18(13-22(23)25)17-8-5-15(3)6-9-17/h5-6,8-9,11-13,19-20,24-25H,1,7,10H2,2-4H3/t19?,20-/m1/s1
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374n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213602
PNG
(4-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-4'-...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1ccc(C)cc1 |w:3.2,c:7|
Show InChI InChI=1S/C23H26O2/c1-14(2)19-10-7-16(4)11-20(19)23-21(24)12-18(13-22(23)25)17-8-5-15(3)6-9-17/h5-6,8-9,11-13,19-20,24-25H,1,7,10H2,2-4H3/t19?,20-/m1/s1
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638n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213596
PNG
(5-(2,2-dichloro-1-hexyl-cyclopropyl)-2-((R)-6-isop...)
Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18|
Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1
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666n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213598
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7|
Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1
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754n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213604
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:16.17,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17?,18-/m1/s1
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1.27E+3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%