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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50303575'   
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 2


(Homo sapiens (Human))
BDBM50303575
PNG
(CHEMBL570907 | Cyclopentyl(1-((tetrahydro-2H-pyran...)
Show SMILES O=C(C1CCCC1)c1cn(CC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C20H25NO2/c22-20(16-5-1-2-6-16)18-14-21(13-15-9-11-23-12-10-15)19-8-4-3-7-17(18)19/h3-4,7-8,14-16H,1-2,5-6,9-13H2
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303575
PNG
(CHEMBL570907 | Cyclopentyl(1-((tetrahydro-2H-pyran...)
Show SMILES O=C(C1CCCC1)c1cn(CC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C20H25NO2/c22-20(16-5-1-2-6-16)18-14-21(13-15-9-11-23-12-10-15)19-8-4-3-7-17(18)19/h3-4,7-8,14-16H,1-2,5-6,9-13H2
PDB

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KEGG

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PC sid
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303575
PNG
(CHEMBL570907 | Cyclopentyl(1-((tetrahydro-2H-pyran...)
Show SMILES O=C(C1CCCC1)c1cn(CC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C20H25NO2/c22-20(16-5-1-2-6-16)18-14-21(13-15-9-11-23-12-10-15)19-8-4-3-7-17(18)19/h3-4,7-8,14-16H,1-2,5-6,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair