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128 similar compounds to monomer 50180036

Compile data set for download or QSAR
Wt: 314.4
BDBM86515
Purchase
Wt: 356.5
BDBM84917
Wt: 330.4
BDBM84922
Wt: 356.5
BDBM84886
Wt: 400.5
BDBM50005920
Purchase
Wt: 298.4
BDBM50005923
Wt: 386.5
BDBM50000727
Wt: 314.4
BDBM50000729
Purchase
Wt: 328.4
BDBM50007387
Wt: 354.5
BDBM50454328
Wt: 370.5
BDBM50454329
Wt: 386.5
BDBM50053357
Wt: 370.5
BDBM50053359
Wt: 330.4
BDBM50061109
Wt: 370.5
BDBM50061111
Displayed 1 to 15 (of 127 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 61 hits for monomerid = 86515,84917,84922,84886,50005920,50005923,50000727,50000729,50007387,50454328,50454329,50053357,50053359,50061109,50061111   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50454329
PNG
(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/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/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/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/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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0.241n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50053357
PNG
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50053357
PNG
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50053359
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-nonyl-6a,7,10,10a-tet...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-5-6-7-8-9-10-11-12-19-16-22(26)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21,26H,5-12,14-15H2,1-4H3/t20-,21-/m1/s1
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0.770n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50454329
PNG
(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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1.73n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
CNR1


(Zebra Finch)
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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2.32n/an/an/an/an/an/an/an/a



Florida State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 189-97 (2001)


BindingDB Entry DOI: 10.7270/Q2X928WT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/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/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50454328
PNG
(CHEMBL2112646)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C
Show InChI InChI=1S/C25H38O/c1-18-11-14-22-21(16-18)20-13-12-19(17-23(20)26-25(22,5)6)10-8-7-9-15-24(2,3)4/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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3.13n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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5.05n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005920
PNG
(AJULEMIC ACID | Ajulemic Acid)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=CC[C@H]3C(C)(C)Oc2c1)C(O)=O
Show InChI InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



The University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 22: 2830-43 (2014)


Article DOI: 10.1016/j.bmc.2014.03.038
BindingDB Entry DOI: 10.7270/Q2SF2XQK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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6.80n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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8.33n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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13.5n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 420-5 (2001)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q2VH5MCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(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
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13.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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15.3n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(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
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22.9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50454328
PNG
(CHEMBL2112646)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C
Show InChI InChI=1S/C25H38O/c1-18-11-14-22-21(16-18)20-13-12-19(17-23(20)26-25(22,5)6)10-8-7-9-15-24(2,3)4/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1
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23n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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25.1n/an/an/an/an/an/an/an/a



Bayer AG

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 359-68 (2002)


Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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25.8n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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27.3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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28.3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005920
PNG
(AJULEMIC ACID | Ajulemic Acid)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=CC[C@H]3C(C)(C)Oc2c1)C(O)=O
Show InChI InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
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32n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005923
PNG
(CHEMBL3233405)
Show SMILES CCCCCc1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O/c1-5-6-7-8-16-10-11-17-18-13-15(2)9-12-19(18)21(3,4)22-20(17)14-16/h9-11,14,18-19H,5-8,12-13H2,1-4H3/t18-,19+/m0/s1
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32n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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32n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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37n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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38n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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40.7n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)


BindingDB Entry DOI: 10.7270/Q27M06GR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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44.9n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(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
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PubMed
69.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84922
PNG
(THC, 5'-OH)
Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCO)cc(O)c21
Show InChI InChI=1S/C21H30O3/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,22-23H,4-10H2,1-3H3/t16-,17-/m1/s1
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87.6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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110n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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130n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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170n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005920
PNG
(AJULEMIC ACID | Ajulemic Acid)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=CC[C@H]3C(C)(C)Oc2c1)C(O)=O
Show InChI InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
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171n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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181n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84886
PNG
(THC, 3-(Norpentyl)-3-propyl)
Show SMILES CCCC(CC)CCc1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O2/c1-6-8-17(7-2)10-11-18-14-21(25)23-19-13-16(3)9-12-20(19)24(4,5)26-22(23)15-18/h14-15,17,19-20,25H,3,6-13H2,1-2,4-5H3/t17?,19-,20-/m1/s1
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968n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000729
PNG
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=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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1.60E+3n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 328-36 (2000)


BindingDB Entry DOI: 10.7270/Q25X27GD
More data for this
Ligand-Target Pair
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