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PubMed code 18038967

Compile data set for download or QSAR
Found 12 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 2


(MOUSE)
BDBM50228072
PNG
(1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21
Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
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PubMed
0.820n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/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/h11-12,14-16,26H,7-10,13H2,1-6H3
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0.950n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/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/h11-12,14-16,26H,7-10,13H2,1-6H3
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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228075
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-6H-benzo[c]c...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(O)cc-23)c1
Show InChI InChI=1S/C24H32O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h10-11,13-15,25-26H,6-9,12H2,1-5H3
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2.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50061116
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
Show InChI InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228075
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-6H-benzo[c]c...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(O)cc-23)c1
Show InChI InChI=1S/C24H32O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h10-11,13-15,25-26H,6-9,12H2,1-5H3
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4.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228074
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-9-methoxy-6H...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(OC)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
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5.40n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228074
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-9-methoxy-6H...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(OC)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
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5.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228073
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methoxy-6H-be...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc21
Show InChI InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
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6.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061116
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
Show InChI InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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39n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228073
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methoxy-6H-be...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc21
Show InChI InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
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360n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228072
PNG
(1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21
Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
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400n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%