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Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'raghav' and Initial = 'jg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(MOUSE)
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/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]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
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))
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/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]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/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]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50463772
PNG
(CHEMBL4239190)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4|
Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/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 recombinant mouse Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/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]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
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 |r,c:18|
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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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
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 |r,c:18|
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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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50532778
PNG
(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50582411
PNG
(CHEMBL5084325)
Show SMILES [H][C@@]12C[C@H](CN=[N+]=[N-])CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintilla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
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))
BDBM50463772
PNG
(CHEMBL4239190)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4|
Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/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 rat brain Cb1 receptor


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582411
PNG
(CHEMBL5084325)
Show SMILES [H][C@@]12C[C@H](CN=[N+]=[N-])CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
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))
BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/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 rat brain Cb1 receptor


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582403
PNG
(CHEMBL5085420)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCN=C=S |r|
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0.390n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582406
PNG
(CHEMBL5091754)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCC#N |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582400
PNG
(CHEMBL5077315)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=[N+]=[N-])CCCC1 |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50582408
PNG
(CHEMBL5080279)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintilla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582412
PNG
(CHEMBL5087407)
Show SMILES [H][C@@]12C[C@H](CN=C=S)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50463772
PNG
(CHEMBL4239190)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4|
Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50582406
PNG
(CHEMBL5091754)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCC#N |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintilla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582405
PNG
(CHEMBL5074603)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=C=S)CCCC1 |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582401
PNG
(CHEMBL5081770)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCN=[N+]=[N-] |r|
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0.410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
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))
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 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 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 2


(MOUSE)
BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/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 recombinant mouse Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50463785
PNG
(CHEMBL4238778)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4|
Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/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 rat brain Cb1 receptor


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
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 |r,c:18|
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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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


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


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
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 |r,c:18|
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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0.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


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


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582402
PNG
(CHEMBL5080450)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=[N+]=[N-])CCCC1 |r|
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50582408
PNG
(CHEMBL5080279)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation countin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50582412
PNG
(CHEMBL5087407)
Show SMILES [H][C@@]12C[C@H](CN=C=S)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCC#N)CCCC1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintilla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02053
BindingDB Entry DOI: 10.7270/Q2TB1BSB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50532780
PNG
(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:5|
Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/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]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
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 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 1


(Rattus norvegicus (rat))
BDBM50532780
PNG
(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:5|
Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/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]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
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 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))
BDBM50463776
PNG
(CHEMBL4246445)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCOCC1 |r,c:4|
Show InChI InChI=1S/C24H34N2O4/c1-16-5-6-20-19(13-16)23-21(27)14-18(15-22(23)30-24(20,3)4)17(2)25-29-12-9-26-7-10-28-11-8-26/h5,14-15,19-20,27H,6-13H2,1-4H3/b25-17+/t19-,20-/m0/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 recombinant human Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
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))
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 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))
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 |r,c:18|
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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0.700n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
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