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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 = 'BDBM50040955'   
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))
BDBM50040955
PNG
(CHEMBL3354406)
Show SMILES O=C(c1ccco1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H13N5O2S/c23-12-14-6-1-2-7-15(14)13-30-22-24-20-19(25-26-22)16-8-3-4-9-17(16)27(20)21(28)18-10-5-11-29-18/h1-11H,13H2
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PC cid
PC sid
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Similars

Article
PubMed
490n/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))
BDBM50040955
PNG
(CHEMBL3354406)
Show SMILES O=C(c1ccco1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H13N5O2S/c23-12-14-6-1-2-7-15(14)13-30-22-24-20-19(25-26-22)16-8-3-4-9-17(16)27(20)21(28)18-10-5-11-29-18/h1-11H,13H2
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 46n/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