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BDBM50170354 2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)-ethanone::2-(2-fluorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone::CHEMBL190469::JWH-314

SMILES: CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12

InChI Key: InChIKey=SMBDYSPMOWAQKQ-UHFFFAOYSA-N

Data: 4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50170354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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39n/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))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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39.1n/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 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))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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76n/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))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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76.0n/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 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