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BDBM50511105 GWP-42004::GWP42004::Gwp42004::O-4394::TETRAHYDROCANNABIVARIN::THCV::Tetrahydrocannabivarin

SMILES: [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21

InChI Key: InChIKey=ZROLHBHDLIHEMS-HUUCEWRRSA-N

Data: 3 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50511105   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 | Gwp42004 | O-4394 | TETRAHY...)
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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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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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75n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


J Nat Prod 83: 88-98 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00876
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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 sid
UniChem
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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
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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>1.00E+5n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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



Citation and Details
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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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UniChem
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n/an/a>5.00E+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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50511105
PNG
(GWP-42004 | GWP42004 | Gwp42004 | O-4394 | TETRAHY...)
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
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method


J Nat Prod 82: 636-646 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00874
More data for this
Ligand-Target Pair