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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 = 'BDBM50254144'   
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))
BDBM50254144
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-(5-methyl...)
Show SMILES Cc1ccc(s1)-c1cncc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H19ClN2O3S2/c1-13-4-9-18(27-13)14-10-16(12-22-11-14)23-19(24)20(2,3)28(25,26)17-7-5-15(21)6-8-17/h4-12H,1-3H3,(H,23,24)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50254144
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-(5-methyl...)
Show SMILES Cc1ccc(s1)-c1cncc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H19ClN2O3S2/c1-13-4-9-18(27-13)14-10-16(12-22-11-14)23-19(24)20(2,3)28(25,26)17-7-5-15(21)6-8-17/h4-12H,1-3H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair