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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50303582'   
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))
BDBM50303582
PNG
(CHEMBL570659 | Cycloheptyl(1-(2-morpholinoethyl)-1...)
Show SMILES O=C(C1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H30N2O2/c25-22(18-7-3-1-2-4-8-18)20-17-24(21-10-6-5-9-19(20)21)12-11-23-13-15-26-16-14-23/h5-6,9-10,17-18H,1-4,7-8,11-16H2
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PC cid
PC sid
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Similars

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))
BDBM50303582
PNG
(CHEMBL570659 | Cycloheptyl(1-(2-morpholinoethyl)-1...)
Show SMILES O=C(C1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H30N2O2/c25-22(18-7-3-1-2-4-8-18)20-17-24(21-10-6-5-9-19(20)21)12-11-23-13-15-26-16-14-23/h5-6,9-10,17-18H,1-4,7-8,11-16H2
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 31n/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