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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50015583   
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))
BDBM50587686
PNG
(CHEMBL5171161)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCCC)cc(O)c21 |r,t:2|
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1.20n/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))
BDBM50587686
PNG
(CHEMBL5171161)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCCC)cc(O)c21 |r,t:2|
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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


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))
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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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 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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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 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


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 1


(Homo sapiens (Human))
BDBM50587686
PNG
(CHEMBL5171161)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCCC)cc(O)c21 |r,t:2|
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130n/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))
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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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 1


(Rattus norvegicus (rat))
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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440n/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
Cytochrome P450 2A6


(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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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 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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1.00E+3n/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 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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1.10E+3n/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))
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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1.22E+3n/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
Cytochrome P450 2B6


(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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1.30E+3n/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
Cytochrome P450 2C19


(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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1.40E+3n/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
Cytochrome P450 1A1


(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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1.60E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(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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2.55E+3n/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 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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2.60E+3n/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))
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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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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5.80E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(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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3.90E+4n/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
Transient receptor potential cation channel subfamily M member 8


(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 20n/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
Cytochrome P450 1A1


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Homo sapiens)
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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Homo sapiens)
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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Homo sapiens)
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/a 4.00E+3n/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
Transient receptor potential cation channel subfamily V member 5


(Homo sapiens)
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 4.80E+3n/an/an/an/an/an/a


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Citation and Details

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


(Homo sapiens)
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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n/an/a 5.20E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(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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n/an/a 5.40E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Homo sapiens)
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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n/an/a 6.50E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(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 7.40E+3n/an/an/an/an/an/a


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Citation and Details

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