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Compile Data Set for Download or QSAR

Found 705 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor' AND taxid = 10090   
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 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.000350n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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0.00100n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176989
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-6-8-17-14(12-15)4-3-5-18-21(23(31)28-29-10-1-2-11-29)27-30(22(17)18)20-9-7-16(25)13-19(20)26/h6-9,12-13H,1-5,10-11H2,(H,28,31)
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0.00400n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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0.00520n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176986
PNG
(8-bromo-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Br)ccc3-c12
Show InChI InChI=1S/C24H23BrCl2N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.00800n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176990
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methoxylphen...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O2/c1-34-19-9-7-18(8-10-19)30-26(33)24-21-4-2-3-15-13-16(27)5-11-20(15)25(21)32(31-24)23-12-6-17(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
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0.0130n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


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


(MOUSE)
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor


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


(MOUSE)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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0.0400n/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


(MOUSE)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176987
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-7-9-18-16(13-15)5-4-6-19-22(24(31)28-29-11-2-3-12-29)27-30(23(18)19)21-10-8-17(25)14-20(21)26/h7-10,13-14H,2-6,11-12H2,1H3,(H,28,31)
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0.110n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8


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


(MOUSE)
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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0.220n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand


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


(MOUSE)
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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0.280n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor


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


(MOUSE)
BDBM50121425
PNG
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)
Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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0.290n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes


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

More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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0.300n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


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


(MOUSE)
BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor


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


(MOUSE)
BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
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0.340n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1
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US Patent
0.370n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


US Patent US9416103 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50080030
PNG
((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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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0.390n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50088439
PNG
(CHEMBL3526578)
Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2
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0.395n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
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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0.410n/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


(MOUSE)
BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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0.460n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


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


(MOUSE)
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes


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

More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand


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


(MOUSE)
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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0.520n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand


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


(MOUSE)
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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0.520n/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 2 (CB2) in mouse spleen


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


(MOUSE)
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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0.520n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes


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

More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
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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0.560n/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


(MOUSE)
BDBM50111517
PNG
(CHEMBL3605054)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H26Cl2O2/c1-4-5-6-7-8-21(2,3)15-11-18(24)20(19(25)12-15)14-9-16(22)13-17(23)10-14/h9-13,24-25H,4-8H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 1 hr by scintillation counting analysis


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


(MOUSE)
BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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0.650n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


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


(MOUSE)
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


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


(MOUSE)
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/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/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
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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0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Cannabinoid receptor


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



Northeastern University

Curated by ChEMBL


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


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


(MOUSE)
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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0.860n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes


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

More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328661
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopent-1-yl)-6,6a,7,8,10,...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h15-16,20-21,28H,4-14,17H2,1-3H3/t20-,21-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


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


(MOUSE)
BDBM50195527
PNG
(CHEMBL387001 | N-cycloheptyl-1-(p-fluorobenzyl)-7-...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCCC1)c2=O
Show InChI InChI=1S/C24H26FN3O2/c1-16-8-13-20-22(29)21(24(30)27-19-6-4-2-3-5-7-19)15-28(23(20)26-16)14-17-9-11-18(25)12-10-17/h8-13,15,19H,2-7,14H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


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


(MOUSE)
BDBM50121428
PNG
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)
Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1
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1n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes


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

More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50060612
PNG
((5Z,8Z,11Z,14Z)-2,16,16-Trimethyl-docosa-5,8,11,14...)
Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C27H46FNO/c1-5-6-7-18-21-27(3,4)22-19-16-14-12-10-8-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h8-9,12-15,19,22,25H,5-7,10-11,16-18,20-21,23-24H2,1-4H3,(H,29,30)/b9-8-,14-12-,15-13-,22-19-
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1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF)


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


(MOUSE)
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


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


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


(MOUSE)
BDBM50058435
PNG
(CHEMBL3331463)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCCC2)s1
Show InChI InChI=1S/C22H22Cl2N4OS/c1-13-10-15-19(30-13)12-16-20(22(29)26-27-8-4-2-3-5-9-27)25-28(21(15)16)18-7-6-14(23)11-17(18)24/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,26,29)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


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


(MOUSE)
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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1.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor


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


(MOUSE)
BDBM50219072
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclobutyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h8,10,12,16-17,20-21,27H,5-7,9,11,13-15H2,1-4H3/b12-8-/t20-,21-/m1/s1
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PubMed
1.20n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


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


(MOUSE)
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
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1.20n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


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


(MOUSE)
BDBM50195516
PNG
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O
Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


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


(MOUSE)
BDBM50066705
PNG
((6R,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-6,9-bis-h...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3[C@](C)(CO)Oc2c1
Show InChI InChI=1S/C25H40O4/c1-5-6-7-8-11-24(2,3)18-13-21(28)23-19-12-17(15-26)9-10-20(19)25(4,16-27)29-22(23)14-18/h13-14,17,19-20,26-28H,5-12,15-16H2,1-4H3/t17-,19-,20-,25+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Cannabinoid receptor 2 from mouse spleen was measured using [3H]CP-55,940 as radioligand


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


(MOUSE)
BDBM50176985
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
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PubMed
1.45n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


Citation and Details
More data for this
Ligand-Target Pair
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