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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50015064   
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 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 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))
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 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))
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 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))
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))
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))
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))
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 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 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))
BDBM50582409
PNG
(CHEMBL5081699)
Show SMILES [H][C@@]12C[C@H](CN=[N+]=[N-])CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=[N+]=[N-])CCCC1 |r|
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0.700n/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


(MOUSE)
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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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(MOUSE)
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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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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))
BDBM50582407
PNG
(CHEMBL5071417)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r|
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0.800n/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


(MOUSE)
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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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(Homo sapiens (Human))
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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0.800n/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 2


(MOUSE)
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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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(MOUSE)
BDBM50582404
PNG
(CHEMBL5092703)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=C=S)CCCC1 |r|
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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(MOUSE)
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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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(MOUSE)
BDBM50582407
PNG
(CHEMBL5071417)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(Homo sapiens (Human))
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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1n/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 2


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


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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))
BDBM50582404
PNG
(CHEMBL5092703)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=C=S)CCCC1 |r|
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1.10n/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


(MOUSE)
BDBM50582409
PNG
(CHEMBL5081699)
Show SMILES [H][C@@]12C[C@H](CN=[N+]=[N-])CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=[N+]=[N-])CCCC1 |r|
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(Homo sapiens (Human))
BDBM50582404
PNG
(CHEMBL5092703)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=C=S)CCCC1 |r|
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1.30n/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 2


(Homo sapiens (Human))
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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1.40n/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 2


(Homo sapiens (Human))
BDBM50582407
PNG
(CHEMBL5071417)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r|
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1.40n/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 2


(MOUSE)
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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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(Homo sapiens (Human))
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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1.5n/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 2


(Homo sapiens (Human))
BDBM50582409
PNG
(CHEMBL5081699)
Show SMILES [H][C@@]12C[C@H](CN=[N+]=[N-])CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=[N+]=[N-])CCCC1 |r|
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1.5n/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 2


(MOUSE)
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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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(MOUSE)
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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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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 2


(Homo sapiens (Human))
BDBM50066712
PNG
((6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymet...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H40O3/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/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1
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2.10n/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))
BDBM50066712
PNG
((6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymet...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H40O3/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/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1
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3n/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))
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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3.20n/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 2


(Homo sapiens (Human))
BDBM50582410
PNG
(CHEMBL5080187)
Show SMILES [H][C@@]12C[C@H](CN=C=S)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=C=S)CCCC1 |r|
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4.20n/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 2


(MOUSE)
BDBM50582410
PNG
(CHEMBL5080187)
Show SMILES [H][C@@]12C[C@H](CN=C=S)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=C=S)CCCC1 |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from mouse 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))
BDBM50582410
PNG
(CHEMBL5080187)
Show SMILES [H][C@@]12C[C@H](CN=C=S)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=C=S)CCCC1 |r|
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38n/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


(Homo sapiens (Human))
BDBM50582407
PNG
(CHEMBL5071417)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r|
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n/an/an/an/a 0.310n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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


(Homo sapiens (Human))
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 |r|
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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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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 2


(Homo sapiens (Human))
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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n/an/an/an/a 0.770n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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))
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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n/an/an/an/a 5.5n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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))
BDBM50582404
PNG
(CHEMBL5092703)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=C=S)CCCC1 |r|
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n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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))
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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n/an/an/an/a 0.390n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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))
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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n/an/an/an/a 0.380n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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))
BDBM50582407
PNG
(CHEMBL5071417)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r|
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n/an/an/an/a 0.960n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


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


(Homo sapiens (Human))
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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n/an/an/an/a 0.430n/an/an/an/a


TBA

Assay Description
Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...


Citation and Details

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