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SMILES: CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1

InChI Key: InChIKey=QNQVIRAZQPCQEB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50464595   
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 2


(Homo sapiens (Human))
BDBM50464595
PNG
(CHEMBL4294111)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50464595
PNG
(CHEMBL4294111)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50464595
PNG
(CHEMBL4294111)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3
PDB

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1.40E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50464595
PNG
(CHEMBL4294111)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3
PDB

Reactome pathway
KEGG

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PC sid
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990n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair