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BDBM50170333 2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone::2-(3-methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone::CHEMBL186674::JWH-302

SMILES: CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12

InChI Key: InChIKey=XZVYWLVYUAQEIM-UHFFFAOYSA-N

Data: 4 KI  2 EC50

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 6 hits for monomerid = 50170333   
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


(Rattus norvegicus (rat))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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17.0n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay


Eur J Med Chem 44: 2482-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.026
BindingDB Entry DOI: 10.7270/Q2K64K9J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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89.1n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay


Eur J Med Chem 44: 2482-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.026
BindingDB Entry DOI: 10.7270/Q2K64K9J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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n/an/an/an/a 24.4n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding at CB2 receptor in presence of 3 uM CP-55,940


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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n/an/an/an/a 29.3n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding at CB1 receptor in presence of 10 uM WIN-55,212-2


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair