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Compile Data Set for Download or QSAR

Found 2535 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(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.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
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



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.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50067497
PNG
((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50067497
PNG
((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM139889
PNG
(US8895592, 19)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-
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US Patent
0.150n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328671
PNG
((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(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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0.230n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50312840
PNG
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1
Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3
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0.270n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135877
PNG
(US8859596, 164)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC(F)(F)F)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F6N4O2S/c1-19(2,3)17-30-32(11-7-10-21(23,24)25)18(35-17)29-16(33)14-12-13(22(26,27)28)8-9-15(14)34-31-20(4,5)6/h8-9,12,31H,7,10-11H2,1-6H3/b29-18-
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US Patent
0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133287
PNG
(US8846730, 40)
Show SMILES CC(C)(C)OC(=O)NNc1ccc(cc1C(=O)\N=c1\sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O4S/c1-23(2,3)19-14-32(13-16-8-7-11-35-16)21(37-19)29-20(33)17-12-15(25(26,27)28)9-10-18(17)30-31-22(34)36-24(4,5)6/h9-10,12,14,16,30H,7-8,11,13H2,1-6H3,(H,31,34)/b29-21+/t16-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133307
PNG
(US8846730, 72)
Show SMILES CC(C)(C)C(=O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O4S/c1-24(2,3)20(32)15-35-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-31(13-17-8-7-11-34-17)14-21(36-23)25(4,5)6/h9-10,12,14,17H,7-8,11,13,15H2,1-6H3/b30-23-/t17-/m1/s1
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US Patent
0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133276
PNG
(US8846730, 23)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCO2)C(F)(F)F)s1
Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18+/m1/s1
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US Patent
0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.310n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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PubMed
0.320n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomes


Bioorg Med Chem Lett 12: 3583-6 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50260806
PNG
(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
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0.410n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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
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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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)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomes


Bioorg Med Chem Lett 12: 3583-6 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50130623
PNG
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50414058
PNG
(CHEMBL549603 | JWH-210)
Show SMILES CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50071414
PNG
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940


Bioorg Med Chem Lett 8: 2223-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219076
PNG
((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50071413
PNG
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-9-hydro...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-16(2)17(3)19-13-22(27)24-20-12-18(15-26)10-11-21(20)25(4,5)28-23(24)14-19/h10,13-14,16-17,20-21,26-27H,6-9,11-12,15H2,1-5H3/t16-,17+,20-,21-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940


Bioorg Med Chem Lett 8: 2223-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133275
PNG
(US8846730, 22)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1
Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133308
PNG
(US8846730, 73)
Show SMILES CC(COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=NO
Show InChI InChI=1S/C23H28F3N3O4S/c1-14(28-31)13-33-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-29(11-16-6-5-9-32-16)12-19(34-21)22(2,3)4/h7-8,10,12,16,31H,5-6,9,11,13H2,1-4H3/b27-21-,28-14+/t16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133313
PNG
(US8846730, 79)
Show SMILES CC(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O3S/c1-14(2)28-32-18-9-8-15(23(24,25)26)11-17(18)20(30)27-21-29(12-16-7-6-10-31-16)13-19(33-21)22(3,4)5/h8-9,11,13-14,16,28H,6-7,10,12H2,1-5H3/b27-21-/t16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135905
PNG
(US8859596, 193)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM133315
PNG
(US8846730, 81)
Show SMILES C[C@@H](O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H29F3N2O4S/c1-14(29)13-32-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-28(11-16-6-5-9-31-16)12-19(33-21)22(2,3)4/h7-8,10,12,14,16,29H,5-6,9,11,13H2,1-4H3/b27-21-/t14-,16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM9807
PNG
(US8846730, 50)
Show SMILES CC(C)(O)CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H33F3N2O4S/c1-23(2,3)20-15-30(14-17-7-6-11-33-17)22(35-20)29-21(31)18-13-16(25(26,27)28)8-9-19(18)34-12-10-24(4,5)32/h8-9,13,15,17,32H,6-7,10-12,14H2,1-5H3/b29-22-/t17-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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0.560n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Mol Pharmacol 60: 155-63 (2001)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.580n/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 membrane


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135875
PNG
(US8859596, 162)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(Cl)ccc1ONC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H31ClN4O2S/c1-8-9-12-26-19(29-18(24-26)20(2,3)4)23-17(27)15-13-14(22)10-11-16(15)28-25-21(5,6)7/h10-11,13,25H,8-9,12H2,1-7H3/b23-19-
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM9651
PNG
(US8846730, 4)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1
Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)31-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-4-5-11-30-18/h9-10,13,15,18-19,30H,4-8,11-12,14,16H2,1-3H3/b31-24-/t18-,19+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135882
PNG
(US8859596, 169)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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PubMed
0.650 -53.3n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50414056
PNG
(CHEMBL564302 | JWH-182)
Show SMILES CCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3
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0.650n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063882
PNG
((6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-6a,7,10...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H30O2/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,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50063882
PNG
((6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-6a,7,10...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H30O2/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,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50414070
PNG
(CHEMBL557004 | JWH-122)
Show SMILES CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50172556
PNG
((4-Fluoro-naphthalen-1-yl)-[1-(1-methyl-piperidin-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25FN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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0.700n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135904
PNG
(US8859596, 192)
Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+
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US Patent
0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135860
PNG
(US8859596, 147)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1/C24H33F3N4O3S/c1-22(2,3)20-29-31(14-16-9-7-8-12-33-16)21(35-20)28-19(32)17-13-15(24(25,26)27)10-11-18(17)34-30-23(4,5)6/h10-11,13,16,30H,7-9,12,14H2,1-6H3/b28-21-
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US Patent
0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM135908
PNG
(US8859596, 197)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-
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US Patent
0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...


US Patent US8859596 (2014)

More data for this
Ligand-Target Pair
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