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PubMed code 10465529

Compile data set for download or QSAR
Found 9 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)
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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PubMed
0.390n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50080030
PNG
((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |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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PubMed
0.430n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50080032
PNG
((4aR,12bR)-8-Hexyl-2,5,5-trimethyl-1,4a,5,8,9,10,1...)
Show SMILES CCCCCCC1CCCc2c(O)c3[C@@H]4CC(C)=CC[C@H]4C(C)(C)Oc3cc12 |c:17|
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-10-18-11-9-12-19-20(18)16-23-24(25(19)27)21-15-17(2)13-14-22(21)26(3,4)28-23/h13,16,18,21-22,27H,5-12,14-15H2,1-4H3/t18?,21-,22-/m1/s1
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22.3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50080032
PNG
((4aR,12bR)-8-Hexyl-2,5,5-trimethyl-1,4a,5,8,9,10,1...)
Show SMILES CCCCCCC1CCCc2c(O)c3[C@@H]4CC(C)=CC[C@H]4C(C)(C)Oc3cc12 |c:17|
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-10-18-11-9-12-19-20(18)16-23-24(25(19)27)21-15-17(2)13-14-22(21)26(3,4)28-23/h13,16,18,21-22,27H,5-12,14-15H2,1-4H3/t18?,21-,22-/m1/s1
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PubMed
58.6n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50080031
PNG
((4aR,12bR)-2,5,5-Trimethyl-9-pentyl-1,4a,5,8,9,10,...)
Show SMILES CCCCCC1CCc2c(C1)cc1OC(C)(C)[C@@H]3CC=C(C)C[C@H]3c1c2O |t:20|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-17-10-11-19-18(14-17)15-22-23(24(19)26)20-13-16(2)9-12-21(20)25(3,4)27-22/h9,15,17,20-21,26H,5-8,10-14H2,1-4H3/t17?,20-,21-/m1/s1
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162n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50080031
PNG
((4aR,12bR)-2,5,5-Trimethyl-9-pentyl-1,4a,5,8,9,10,...)
Show SMILES CCCCCC1CCc2c(C1)cc1OC(C)(C)[C@@H]3CC=C(C)C[C@H]3c1c2O |t:20|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-17-10-11-19-18(14-17)15-22-23(24(19)26)20-13-16(2)9-12-21(20)25(3,4)27-22/h9,15,17,20-21,26H,5-8,10-14H2,1-4H3/t17?,20-,21-/m1/s1
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402n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50080033
PNG
((6aR,10aR)-1-Hexyl-6,6,9-trimethyl-1,3,4,6,6a,7,10...)
Show SMILES CCCCCCC1CCCc2c1cc(O)c1[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc21 |c:20|
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-10-18-11-9-12-19-20(18)16-23(27)24-21-15-17(2)13-14-22(21)26(3,4)28-25(19)24/h13,16,18,21-22,27H,5-12,14-15H2,1-4H3/t18?,21-,22-/m1/s1
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456n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50080033
PNG
((6aR,10aR)-1-Hexyl-6,6,9-trimethyl-1,3,4,6,6a,7,10...)
Show SMILES CCCCCCC1CCCc2c1cc(O)c1[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc21 |c:20|
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-10-18-11-9-12-19-20(18)16-23(27)24-21-15-17(2)13-14-22(21)26(3,4)28-25(19)24/h13,16,18,21-22,27H,5-12,14-15H2,1-4H3/t18?,21-,22-/m1/s1
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542n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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PubMed
703n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.


Bioorg Med Chem Lett 9: 2119-24 (1999)


BindingDB Entry DOI: 10.7270/Q2N015QC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%