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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 = 'BDBM50301307'   
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))
BDBM50301307
PNG
(CHEMBL577487 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
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PC cid
PC sid
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Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301307
PNG
(CHEMBL577487 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
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 49n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair