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PubMed code 20621488

Compile data set for download or QSAR
Found 13 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


(Rattus norvegicus (rat))
BDBM50323910
PNG
(2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
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PubMed
9.54n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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36n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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41n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323909
PNG
((1S,3S)3-[4-(1,1-dimethylheptyl)phenyl]cyclohexano...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@H](O)C1 |r|
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20-/m0/s1
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178n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323907
PNG
((1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohex...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20+/m0/s1
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231n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323906
PNG
((1R,3S)3-[2-Methoxy-4-(1,1-dimethylhexyl)phenyl]cy...)
Show SMILES CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O2/c1-5-6-7-13-21(2,3)17-11-12-19(20(15-17)23-4)16-9-8-10-18(22)14-16/h11-12,15-16,18,22H,5-10,13-14H2,1-4H3/t16-,18+/m0/s1
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553n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323909
PNG
((1S,3S)3-[4-(1,1-dimethylheptyl)phenyl]cyclohexano...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@H](O)C1 |r|
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20-/m0/s1
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645n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323905
PNG
((1S,3S)3-[2-Methoxy-4-(1,1-dimethylhexyl)phenyl]cy...)
Show SMILES CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O2/c1-5-6-7-13-21(2,3)17-11-12-19(20(15-17)23-4)16-9-8-10-18(22)14-16/h11-12,15-16,18,22H,5-10,13-14H2,1-4H3/t16-,18-/m0/s1
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693n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323908
PNG
((1R,3S)3-[2-Methoxy-4-(1,1-dimethylheptyl)phenyl]c...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C22H36O2/c1-5-6-7-8-14-22(2,3)18-12-13-20(21(16-18)24-4)17-10-9-11-19(23)15-17/h12-13,16-17,19,23H,5-11,14-15H2,1-4H3/t17-,19+/m0/s1
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808n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323907
PNG
((1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohex...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20+/m0/s1
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PubMed
2.95E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323905
PNG
((1S,3S)3-[2-Methoxy-4-(1,1-dimethylhexyl)phenyl]cy...)
Show SMILES CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O2/c1-5-6-7-13-21(2,3)17-11-12-19(20(15-17)23-4)16-9-8-10-18(22)14-16/h11-12,15-16,18,22H,5-10,13-14H2,1-4H3/t16-,18-/m0/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323906
PNG
((1R,3S)3-[2-Methoxy-4-(1,1-dimethylhexyl)phenyl]cy...)
Show SMILES CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O2/c1-5-6-7-13-21(2,3)17-11-12-19(20(15-17)23-4)16-9-8-10-18(22)14-16/h11-12,15-16,18,22H,5-10,13-14H2,1-4H3/t16-,18+/m0/s1
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4.41E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323908
PNG
((1R,3S)3-[2-Methoxy-4-(1,1-dimethylheptyl)phenyl]c...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 |r|
Show InChI InChI=1S/C22H36O2/c1-5-6-7-8-14-22(2,3)18-12-13-20(21(16-18)24-4)17-10-9-11-19(23)15-17/h12-13,16-17,19,23H,5-11,14-15H2,1-4H3/t17-,19+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%