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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'guo' and Initial = 'jj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50012477
PNG
(1-Phenethyl-4-(phenyl-propionyl-amino)-piperidine-...)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
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0.0240n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


Bioorg Med Chem 22: 4581-6 (2014)


Article DOI: 10.1016/j.bmc.2014.07.033
BindingDB Entry DOI: 10.7270/Q2P270WT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233601
PNG
(CHEMBL4062745)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233619
PNG
(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233606
PNG
(CHEMBL4068675)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)SCCC |r,c:4|
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233622
PNG
(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCC |r,c:4|
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233613
PNG
(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)COC(=O)CCCC |r,c:4|
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233602
PNG
(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4|
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50495106
PNG
(CHEMBL3104358 | US10882838, Example 1.16)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@H](C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15-,17+,18+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233608
PNG
(CHEMBL4094603)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCCBr |r,c:4|
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233606
PNG
(CHEMBL4068675)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)SCCC |r,c:4|
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233612
PNG
(CHEMBL4102348 | US10882838, Example 1.7)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4|
Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233619
PNG
(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233601
PNG
(CHEMBL4062745)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233612
PNG
(CHEMBL4102348 | US10882838, Example 1.7)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4|
Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233602
PNG
(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4|
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233606
PNG
(CHEMBL4068675)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)SCCC |r,c:4|
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233601
PNG
(CHEMBL4062745)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233604
PNG
(CHEMBL4063822 | US10882838, Example 1.19)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C26H33NO4/c1-17-8-9-20-19(14-17)23-21(28)15-18(16-22(23)31-25(20,2)3)26(10-7-11-26)24(29)30-13-6-4-5-12-27/h8,15-16,19-20,28H,4-7,9-11,13-14H2,1-3H3/t19-,20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233613
PNG
(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)COC(=O)CCCC |r,c:4|
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
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1n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233612
PNG
(CHEMBL4102348 | US10882838, Example 1.7)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4|
Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233608
PNG
(CHEMBL4094603)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCCBr |r,c:4|
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233603
PNG
(CHEMBL4098489 | US10882838, Example 1.28)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CC(=O)OCCCCC#N)cc(O)c21 |r,c:4|
Show InChI InChI=1S/C23H29NO4/c1-15-7-8-18-17(11-15)22-19(25)12-16(13-20(22)28-23(18,2)3)14-21(26)27-10-6-4-5-9-24/h7,12-13,17-18,25H,4-6,8,10-11,14H2,1-3H3/t17-,18-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233613
PNG
(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)COC(=O)CCCC |r,c:4|
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233608
PNG
(CHEMBL4094603)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCCBr |r,c:4|
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233600
PNG
(CHEMBL4098428 | US10882838, Example 1.10)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCn1ccnc1 |r,c:4|
Show InChI InChI=1S/C26H34N2O4/c1-17-7-8-20-19(13-17)23-21(29)14-18(15-22(23)32-26(20,4)5)25(2,3)24(30)31-12-6-10-28-11-9-27-16-28/h7,9,11,14-16,19-20,29H,6,8,10,12-13H2,1-5H3/t19-,20-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233602
PNG
(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4|
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


Bioorg Med Chem 22: 4581-6 (2014)


Article DOI: 10.1016/j.bmc.2014.07.033
BindingDB Entry DOI: 10.7270/Q2P270WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233622
PNG
(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCC |r,c:4|
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233604
PNG
(CHEMBL4063822 | US10882838, Example 1.19)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C26H33NO4/c1-17-8-9-20-19(14-17)23-21(28)15-18(16-22(23)31-25(20,2)3)26(10-7-11-26)24(29)30-13-6-4-5-12-27/h8,15-16,19-20,28H,4-7,9-11,13-14H2,1-3H3/t19-,20-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50495107
PNG
(CHEMBL3104356 | US10882838, Example 1.14)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@@H](C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15-,17-,18-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233604
PNG
(CHEMBL4063822 | US10882838, Example 1.19)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C26H33NO4/c1-17-8-9-20-19(14-17)23-21(28)15-18(16-22(23)31-25(20,2)3)26(10-7-11-26)24(29)30-13-6-4-5-12-27/h8,15-16,19-20,28H,4-7,9-11,13-14H2,1-3H3/t19-,20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233600
PNG
(CHEMBL4098428 | US10882838, Example 1.10)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCn1ccnc1 |r,c:4|
Show InChI InChI=1S/C26H34N2O4/c1-17-7-8-20-19(13-17)23-21(29)14-18(15-22(23)32-26(20,4)5)25(2,3)24(30)31-12-6-10-28-11-9-27-16-28/h7,9,11,14-16,19-20,29H,6,8,10,12-13H2,1-5H3/t19-,20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233603
PNG
(CHEMBL4098489 | US10882838, Example 1.28)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CC(=O)OCCCCC#N)cc(O)c21 |r,c:4|
Show InChI InChI=1S/C23H29NO4/c1-15-7-8-18-17(11-15)22-19(25)12-16(13-20(22)28-23(18,2)3)14-21(26)27-10-6-4-5-9-24/h7,12-13,17-18,25H,4-6,8,10-11,14H2,1-3H3/t17-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233616
PNG
(CHEMBL4071457 | US10882838, Example 1.27)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CC(=O)OCCCCBr)cc(O)c21 |r,c:4|
Show InChI InChI=1S/C22H29BrO4/c1-14-6-7-17-16(10-14)21-18(24)11-15(12-19(21)27-22(17,2)3)13-20(25)26-9-5-4-8-23/h6,11-12,16-17,24H,4-5,7-10,13H2,1-3H3/t16-,17-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233622
PNG
(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCC |r,c:4|
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233621
PNG
(CHEMBL4089791 | US10882838, Example 1.31)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)NCCCCC |r,c:4|
Show InChI InChI=1S/C25H37NO3/c1-7-8-9-12-26-23(28)24(3,4)17-14-20(27)22-18-13-16(2)10-11-19(18)25(5,6)29-21(22)15-17/h10,14-15,18-19,27H,7-9,11-13H2,1-6H3,(H,26,28)/t18-,19-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233610
PNG
(CHEMBL4084380 | US10882838, Example 1.36)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCBr |r,c:4|
Show InChI InChI=1S/C22H29BrO4/c1-13-6-7-16-15(10-13)19-17(24)11-14(12-18(19)27-22(16,4)5)21(2,3)20(25)26-9-8-23/h6,11-12,15-16,24H,7-10H2,1-5H3/t15-,16-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting analysis


J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
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