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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 = 'BDBM50040934'   
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))
BDBM50040934
PNG
(CHEMBL3353833)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H17N5S/c25-14-18-10-4-5-11-19(18)16-30-24-26-23-22(27-28-24)20-12-6-7-13-21(20)29(23)15-17-8-2-1-3-9-17/h1-13H,15-16H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040934
PNG
(CHEMBL3353833)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H17N5S/c25-14-18-10-4-5-11-19(18)16-30-24-26-23-22(27-28-24)20-12-6-7-13-21(20)29(23)15-17-8-2-1-3-9-17/h1-13H,15-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 214n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair