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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50511105'   
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


(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))
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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63n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
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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63n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation count...


J Nat Prod 82: 636-646 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00874
BindingDB Entry DOI: 10.7270/Q2P55RZ3
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 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/an/an/a 98n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
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
PDB

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PC cid
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n/an/an/an/a 38n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair