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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50009794   
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))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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16n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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 1


(Homo sapiens (Human))
BDBM50532210
PNG
(CHEBI:67078 | DELTA9-TETRAHYDROCANNABINOLIC ACID A)
Show SMILES [H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:5|
Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
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24n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50532210
PNG
(CHEBI:67078 | DELTA9-TETRAHYDROCANNABINOLIC ACID A)
Show SMILES [H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:5|
Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
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56n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50532211
PNG
(CHEMBL463546 | Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid...)
Show SMILES C\C=C/C=C\CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+
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57n/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 HEK293 cell membranes after 90 mins by scintillation counting method


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))
BDBM50212599
PNG
(CHEMBL426912 | N-Isobutyl-(2E,4E)-dodecadienamide ...)
Show SMILES CCCCCCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
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60n/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 HEK293 cell membranes after 90 mins by scintillation counting method


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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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 1


(Mus musculus (Mouse))
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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75n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in mouse whole brain membrane measured after 60 mins by liquid scintillation counting method


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))
BDBM50318487
PNG
(CHEMBL497318 | Cannabigerol)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1
Show InChI InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
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153n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50318486
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chro...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c2-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c2c1 |c:10|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
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257n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50318484
PNG
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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372n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50532215
PNG
(CBD-V | CBDV | Cannabidivarin | GWP42006)
Show SMILES [H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|
Show InChI InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
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574n/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 Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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 1


(Homo sapiens (Human))
BDBM50318486
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chro...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c2-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c2c1 |c:10|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
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714n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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))
BDBM50532216
PNG
(CHEMBL490810)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c1-[#8]
Show InChI InChI=1S/C25H30O4/c1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19/h4-6,8,10-12,16,26-27H,7,9,13-15H2,1-3H3,(H,28,29)/b18-12+
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828n/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 HEK293 cell membranes measured after 90 mins


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 1


(Homo sapiens (Human))
BDBM50318487
PNG
(CHEMBL497318 | Cannabigerol)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1
Show InChI InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
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897n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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 1


(Homo sapiens (Human))
BDBM50318484
PNG
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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


(MOUSE)
BDBM50532219
PNG
(CHEMBL4570271)
Show SMILES CC#CC#CCCCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,8-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
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1.87E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 60 mins by scintillation counting method


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 1


(Homo sapiens (Human))
BDBM50212599
PNG
(CHEMBL426912 | N-Isobutyl-(2E,4E)-dodecadienamide ...)
Show SMILES CCCCCCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
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1.94E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in HEK293-EBNA cell membranes after 90 mins by scintillation counting meth...


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))
BDBM50532221
PNG
(CHEMBL4549023)
Show SMILES C\C=C/C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,11-10+,13-12+
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4.54E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant CB2 receptor (unknown origin) expressed in cell membranes after 90 mins by scintillation counting metho...


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 1


(Homo sapiens (Human))
BDBM50532211
PNG
(CHEMBL463546 | Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid...)
Show SMILES C\C=C/C=C\CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+
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6.21E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in HEK293-EBNA cell membranes after 90 mins by scintillation counting meth...


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 1


(Rattus norvegicus (rat))
BDBM50532220
PNG
(CHEMBL4448653)
Show SMILES CCC(C)CNC(=O)\C=C\CCCCC#CC#CC
Show InChI InChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+
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6.73E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat spleen membranes after 60 mins by scintillation counting method


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


(MOUSE)
BDBM50532220
PNG
(CHEMBL4448653)
Show SMILES CCC(C)CNC(=O)\C=C\CCCCC#CC#CC
Show InChI InChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+
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7.20E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 60 mins by scintillation counting method


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


(MOUSE)
BDBM50532212
PNG
(CHEMBL459132 | Dodeca-2E,4E,8Z-Trienoic Acid Isobu...)
Show SMILES CCC\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H27NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,17,18)/b7-6-,11-10+,13-12+
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8.38E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 60 mins by scintillation counting method


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))
BDBM50532222
PNG
(CHEMBL463345 | Dodeca-2E,4E,8Z,10E-Tetraenoic Acid...)
Show SMILES C\C=C\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+
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9.04E+3n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant CB2 receptor (unknown origin) expressed in cell membranes after 90 mins by scintillation counting metho...


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 1


(Rattus norvegicus (rat))
BDBM50532212
PNG
(CHEMBL459132 | Dodeca-2E,4E,8Z-Trienoic Acid Isobu...)
Show SMILES CCC\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H27NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,17,18)/b7-6-,11-10+,13-12+
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1.10E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat spleen membranes after 60 mins by scintillation counting method


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 1


(Homo sapiens (Human))
BDBM50532215
PNG
(CBD-V | CBDV | Cannabidivarin | GWP42006)
Show SMILES [H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|
Show InChI InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
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1.47E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...


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 1


(Homo sapiens (Human))
BDBM50479142
PNG
(Guineensine | Guineesine | Pipyahyine)
Show SMILES CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
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>2.00E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor measured after 2 hrs by liquid scintillation counting method


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 1


(Rattus norvegicus (rat))
BDBM50532219
PNG
(CHEMBL4570271)
Show SMILES CC#CC#CCCCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,8-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
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2.46E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat spleen membranes after 60 mins by scintillation counting method


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 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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3.36E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin)


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 1


(Homo sapiens (Human))
BDBM50187665
PNG
((-)-epigallocatechin | CHEMBL47386)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
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3.57E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin)


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))
BDBM50479142
PNG
(Guineensine | Guineesine | Pipyahyine)
Show SMILES CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
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3.83E+4n/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 measured after 2 hrs by liquid scintillation counting method


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))
BDBM50532218
PNG
(CHEMBL2287715)
Show SMILES CC(C)CNC(=O)\C=C\CCCCC#CC#C
Show InChI InChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
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>4.00E+4n/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 HEK293 cell membranes after 90 mins by scintillation counting method


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 1


(Homo sapiens (Human))
BDBM50532218
PNG
(CHEMBL2287715)
Show SMILES CC(C)CNC(=O)\C=C\CCCCC#CC#C
Show InChI InChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
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>4.00E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in HEK293-EBNA cell membranes after 90 mins by scintillation counting meth...


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))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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4.28E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin)


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 1


(Homo sapiens (Human))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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4.73E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin)


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))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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9.56E+4n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin)


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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50479142
PNG
(Guineensine | Guineesine | Pipyahyine)
Show SMILES CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
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>1.00E+5n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cell homogenates using [3H]-2OG as substrate preincubated for 15 mins followed by substrate addition and measured af...


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
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50479142
PNG
(Guineensine | Guineesine | Pipyahyine)
Show SMILES CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
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>1.00E+5n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of NBD-Stearate from recombinant human FABP5 measured after 30 mins by fluorescence polarization assay


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))
BDBM50187665
PNG
((-)-epigallocatechin | CHEMBL47386)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
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3.61E+5n/an/an/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin)


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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438777
PNG
(CHEMBL2413160)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h7-8,10-11,18-20,22H,3-6,9,12-17,21,23H2,1-2H3,(H,27,28)/b8-7-,11-10-
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n/an/a 1.03E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438783
PNG
(CHEMBL2415106)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1
Show InChI InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-
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n/an/a 1.08E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438780
PNG
(CHEMBL2415105)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
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n/an/a 1.37E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50532215
PNG
(CBD-V | CBDV | Cannabidivarin | GWP42006)
Show SMILES [H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|
Show InChI InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...


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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438778
PNG
(CHEMBL1223510)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccccc1
Show InChI InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-
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n/an/a 1.67E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50318485
PNG
(2,4-dihydroxy-3-((1R,6R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O |r,t:11|
Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...


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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50318485
PNG
(2,4-dihydroxy-3-((1R,6R)-3-methyl-6-(prop-1-en-2-y...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O |r,t:11|
Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK293 cells using [14C]-N-palmitoylethanolamine as substrate measured after 30 mins by beta-counti...


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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50532210
PNG
(CHEBI:67078 | DELTA9-TETRAHYDROCANNABINOLIC ACID A)
Show SMILES [H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:5|
Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
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n/an/a 2.73E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...


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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50532217
PNG
(CHEBI:67081 | Cannabigerolic Acid)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O
Show InChI InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+
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n/an/a 3.05E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...


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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50532213
PNG
(CHEMBL4538462)
Show SMILES CCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O |r,t:9|
Show InChI InChI=1S/C20H26O4/c1-5-6-13-10-16(21)18(19(22)17(13)20(23)24)15-9-12(4)7-8-14(15)11(2)3/h9-10,14-15,21-22H,2,5-8H2,1,3-4H3,(H,23,24)/t14-,15+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...


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
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