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PubMed code 11020293

Compile data set for download or QSAR
Found 42 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))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.100n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.200n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092584
PNG
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
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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1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
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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1.5n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 2 (CB2) .


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092584
PNG
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
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2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
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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2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 1 (CB1) .


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
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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2.20n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092588
PNG
(4-(1,1-Dimethyl-heptyl)-2'-isopropyl-5'-methyl-bip...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C
Show InChI InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3
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3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092586
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C26H34O4/c1-7-8-9-10-13-25(2,3)18-15-21(27)23-19-14-17(24(28)29-6)11-12-20(19)26(4,5)30-22(23)16-18/h11-12,14-16,27H,7-10,13H2,1-6H3
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3.80n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092590
PNG
(3-(1,1-Dimethyl-butyl)-6,6,9-trimethyl-6H-benzo[c]...)
Show SMILES CCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C22H28O2/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/h8-9,11-13,23H,7,10H2,1-6H3
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6n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092586
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C26H34O4/c1-7-8-9-10-13-25(2,3)18-15-21(27)23-19-14-17(24(28)29-6)11-12-20(19)26(4,5)30-22(23)16-18/h11-12,14-16,27H,7-10,13H2,1-6H3
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14n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092588
PNG
(4-(1,1-Dimethyl-heptyl)-2'-isopropyl-5'-methyl-bip...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C
Show InChI InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3
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33n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
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
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



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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
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



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092590
PNG
(3-(1,1-Dimethyl-butyl)-6,6,9-trimethyl-6H-benzo[c]...)
Show SMILES CCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C22H28O2/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/h8-9,11-13,23H,7,10H2,1-6H3
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42n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092582
PNG
(CHEMBL127919 | [3-(1,1-Dimethyl-butyl)-6,6-dimethy...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C22H28O2/c1-6-11-21(2,3)16-8-9-17-18-12-15(14-23)7-10-19(18)22(4,5)24-20(17)13-16/h7-10,12-13,23H,6,11,14H2,1-5H3
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67n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3
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96n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092585
PNG
(4-(1,1-Dimethyl-butyl)-2'-isopropyl-5'-methyl-biph...)
Show SMILES CCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C
Show InChI InChI=1S/C22H30O/c1-7-12-22(5,6)17-9-11-19(21(23)14-17)20-13-16(4)8-10-18(20)15(2)3/h8-11,13-15,23H,7,12H2,1-6H3
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113n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092581
PNG
(3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6H-benzo[c...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
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167n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092582
PNG
(CHEMBL127919 | [3-(1,1-Dimethyl-butyl)-6,6-dimethy...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C22H28O2/c1-6-11-21(2,3)16-8-9-17-18-12-15(14-23)7-10-19(18)22(4,5)24-20(17)13-16/h7-10,12-13,23H,6,11,14H2,1-5H3
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204n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092591
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCCC)c1
Show InChI InChI=1S/C29H40O4/c1-8-10-11-12-15-28(3,4)21-18-24(31-7)26-22-17-20(27(30)32-16-9-2)13-14-23(22)29(5,6)33-25(26)19-21/h13-14,17-19H,8-12,15-16H2,1-7H3
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214n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092589
PNG
(3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-6H-benzo[c]ch...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C26H34O3/c1-7-8-9-10-15-25(2,3)19-12-13-20-21-16-18(24(27)28-6)11-14-22(21)26(4,5)29-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
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276n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092594
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6,9-trimethyl-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C26H36O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12-13,15-17H,8-11,14H2,1-7H3
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286n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3
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308n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092581
PNG
(3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6H-benzo[c...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
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434n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092580
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C27H36O4/c1-8-9-10-11-14-26(2,3)19-16-22(29-6)24-20-15-18(25(28)30-7)12-13-21(20)27(4,5)31-23(24)17-19/h12-13,15-17H,8-11,14H2,1-7H3
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529n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092589
PNG
(3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-6H-benzo[c]ch...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C26H34O3/c1-7-8-9-10-15-25(2,3)19-12-13-20-21-16-18(24(27)28-6)11-14-22(21)26(4,5)29-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
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558n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092587
PNG
(3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chr...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C23H28O3/c1-7-12-22(2,3)16-9-10-17-18-13-15(21(24)25-6)8-11-19(18)23(4,5)26-20(17)14-16/h8-11,13-14H,7,12H2,1-6H3
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611n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092594
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6,9-trimethyl-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C26H36O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12-13,15-17H,8-11,14H2,1-7H3
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681n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092585
PNG
(4-(1,1-Dimethyl-butyl)-2'-isopropyl-5'-methyl-biph...)
Show SMILES CCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C
Show InChI InChI=1S/C22H30O/c1-7-12-22(5,6)17-9-11-19(21(23)14-17)20-13-16(4)8-10-18(20)15(2)3/h8-11,13-15,23H,7,12H2,1-6H3
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875n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092591
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCCC)c1
Show InChI InChI=1S/C29H40O4/c1-8-10-11-12-15-28(3,4)21-18-24(31-7)26-22-17-20(27(30)32-16-9-2)13-14-23(22)29(5,6)33-25(26)19-21/h13-14,17-19H,8-12,15-16H2,1-7H3
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1.73E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092592
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC(C)C)c1
Show InChI InChI=1S/C29H40O4/c1-9-10-11-12-15-28(4,5)21-17-24(31-8)26-22-16-20(27(30)32-19(2)3)13-14-23(22)29(6,7)33-25(26)18-21/h13-14,16-19H,9-12,15H2,1-8H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092593
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C33H40O4/c1-7-8-9-13-18-32(2,3)25-20-28(35-6)30-26-19-24(31(34)36-22-23-14-11-10-12-15-23)16-17-27(26)33(4,5)37-29(30)21-25/h10-12,14-17,19-21H,7-9,13,18,22H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092587
PNG
(3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chr...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C23H28O3/c1-7-12-22(2,3)16-9-10-17-18-13-15(21(24)25-6)8-11-19(18)23(4,5)26-20(17)14-16/h8-11,13-14H,7,12H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092579
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C37H42O4/c1-7-8-9-12-19-36(2,3)29-22-32(39-6)34-30-21-28(17-18-31(30)37(4,5)41-33(34)23-29)35(38)40-24-25-15-16-26-13-10-11-14-27(26)20-25/h10-11,13-18,20-23H,7-9,12,19,24H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092580
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C27H36O4/c1-8-9-10-11-14-26(2,3)19-16-22(29-6)24-20-15-18(25(28)30-7)12-13-21(20)27(4,5)31-23(24)17-19/h12-13,15-17H,8-11,14H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092583
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCOC(=O)c1ccc2c(c1)-c1c(OC)cc(cc1OC2(C)C)C(C)(C)CCCCCC
Show InChI InChI=1S/C32H46O4/c1-8-10-12-14-18-31(3,4)24-21-27(34-7)29-25-20-23(30(33)35-19-15-13-11-9-2)16-17-26(25)32(5,6)36-28(29)22-24/h16-17,20-22H,8-15,18-19H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092579
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C37H42O4/c1-7-8-9-12-19-36(2,3)29-22-32(39-6)34-30-21-28(17-18-31(30)37(4,5)41-33(34)23-29)35(38)40-24-25-15-16-26-13-10-11-14-27(26)20-25/h10-11,13-18,20-23H,7-9,12,19,24H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092592
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC(C)C)c1
Show InChI InChI=1S/C29H40O4/c1-9-10-11-12-15-28(4,5)21-17-24(31-8)26-22-16-20(27(30)32-19(2)3)13-14-23(22)29(6,7)33-25(26)18-21/h13-14,16-19H,9-12,15H2,1-8H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092593
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C33H40O4/c1-7-8-9-13-18-32(2,3)25-20-28(35-6)30-26-19-24(31(34)36-22-23-14-11-10-12-15-23)16-17-27(26)33(4,5)37-29(30)21-25/h10-12,14-17,19-21H,7-9,13,18,22H2,1-6H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092583
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCOC(=O)c1ccc2c(c1)-c1c(OC)cc(cc1OC2(C)C)C(C)(C)CCCCCC
Show InChI InChI=1S/C32H46O4/c1-8-10-12-14-18-31(3,4)24-21-27(34-7)29-25-20-23(30(33)35-19-15-13-11-9-2)16-17-26(25)32(5,6)36-28(29)22-24/h16-17,20-22H,8-15,18-19H2,1-7H3
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PC cid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%