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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50011312   
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


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546337
PNG
(CHEMBL4747195)
Show SMILES [H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
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2.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546337
PNG
(CHEMBL4747195)
Show SMILES [H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546338
PNG
(CHEMBL4760215)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546338
PNG
(CHEMBL4760215)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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128n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546336
PNG
(CHEMBL4747880)
Show SMILES [H][C@@]12CCC(=C[C@@]1([H])c1c(O)cc(CCC)cc1OC2(C)C)C(O)=O |r,c:4|
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187n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546336
PNG
(CHEMBL4747880)
Show SMILES [H][C@@]12CCC(=C[C@@]1([H])c1c(O)cc(CCC)cc1OC2(C)C)C(O)=O |r,c:4|
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590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546339
PNG
(CHEMBL4763058)
Show SMILES [H][C@@]12C=C(C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546339
PNG
(CHEMBL4763058)
Show SMILES [H][C@@]12C=C(C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546337
PNG
(CHEMBL4747195)
Show SMILES [H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546337
PNG
(CHEMBL4747195)
Show SMILES [H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546338
PNG
(CHEMBL4760215)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546338
PNG
(CHEMBL4760215)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a 808n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546336
PNG
(CHEMBL4747880)
Show SMILES [H][C@@]12CCC(=C[C@@]1([H])c1c(O)cc(CCC)cc1OC2(C)C)C(O)=O |r,c:4|
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n/an/a 1.68E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546336
PNG
(CHEMBL4747880)
Show SMILES [H][C@@]12CCC(=C[C@@]1([H])c1c(O)cc(CCC)cc1OC2(C)C)C(O)=O |r,c:4|
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n/an/a 3.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50546339
PNG
(CHEMBL4763058)
Show SMILES [H][C@@]12C=C(C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50546339
PNG
(CHEMBL4763058)
Show SMILES [H][C@@]12C=C(C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jnatprod.9b00831
BindingDB Entry DOI: 10.7270/Q2639T9W
More data for this
Ligand-Target Pair