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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'krishnamurthy' and Initial = 'm'   
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))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244359
PNG
((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244359
PNG
((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
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



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 using CP55,940 as radioligand in HEK293 EBNA cells


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
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



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244284
PNG
((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...)
Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244284
PNG
((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...)
Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244252
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244252
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244322
PNG
((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244322
PNG
((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((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)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
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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0.910n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((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)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
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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0.910n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
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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0.910n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
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1.08n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
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1.08n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133547
PNG
((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...)
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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244281
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1
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1.13n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244281
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1
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1.13n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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1.54n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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1.54n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244359
PNG
((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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1.59n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244359
PNG
((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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1.59n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244323
PNG
((6aR,10aR)-3-(2-(4-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Cl)cc1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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1.68n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244323
PNG
((6aR,10aR)-3-(2-(4-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Cl)cc1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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1.68n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244320
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(4-propylphenyl)pr...)
Show SMILES CCCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:21|
Show InChI InChI=1S/C28H36O2/c1-7-8-19-10-12-20(13-11-19)27(3,4)21-16-24(29)26-22-15-18(2)9-14-23(22)28(5,6)30-25(26)17-21/h9-13,16-17,22-23,29H,7-8,14-15H2,1-6H3/t22-,23-/m1/s1
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1.77n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244320
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(4-propylphenyl)pr...)
Show SMILES CCCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:21|
Show InChI InChI=1S/C28H36O2/c1-7-8-19-10-12-20(13-11-19)27(3,4)21-16-24(29)26-22-15-18(2)9-14-23(22)28(5,6)30-25(26)17-21/h9-13,16-17,22-23,29H,7-8,14-15H2,1-6H3/t22-,23-/m1/s1
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1.77n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244284
PNG
((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...)
Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
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1.85n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244284
PNG
((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...)
Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20|
Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
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1.85n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133547
PNG
((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...)
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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243717
PNG
(3-[1-(4-Cyano-phenyl)-1-methyl-ethyl]-6,6,9-trimet...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(cc1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-6-11-21-20(12-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-9-7-17(15-27)8-10-18/h6-10,13-14,20-21,28H,11-12H2,1-5H3/t20-,21-/m1/s1
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2.53n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244281
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1
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2.53n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243717
PNG
(3-[1-(4-Cyano-phenyl)-1-methyl-ethyl]-6,6,9-trimet...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(cc1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-6-11-21-20(12-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-9-7-17(15-27)8-10-18/h6-10,13-14,20-21,28H,11-12H2,1-5H3/t20-,21-/m1/s1
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2.53n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244281
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1
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2.53n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((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)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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2.72n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((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)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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2.72n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244357
PNG
((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244357
PNG
((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244252
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
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3.13n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244252
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
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3.13n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244357
PNG
((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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3.54n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244357
PNG
((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1|
Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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3.54n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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5.03n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
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5.03n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244322
PNG
((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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5.26n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244322
PNG
((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1
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5.26n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
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



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
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