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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 = 'BDBM50494951'   
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))
BDBM50494951
PNG
(CHEMBL3099054)
Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1
Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 24: 283-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.023
BindingDB Entry DOI: 10.7270/Q2ZC85VD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494951
PNG
(CHEMBL3099054)
Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1
Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.780n/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO CRE-luc cells


Bioorg Med Chem Lett 24: 283-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.023
BindingDB Entry DOI: 10.7270/Q2ZC85VD
More data for this
Ligand-Target Pair