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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 = 'BDBM50040952'   
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))
BDBM50040952
PNG
(CHEMBL3354403)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C25H14F3N5O2S/c26-25(27,28)35-18-11-9-15(10-12-18)23(34)33-20-8-4-3-7-19(20)21-22(33)30-24(32-31-21)36-14-17-6-2-1-5-16(17)13-29/h1-12H,14H2
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PC cid
PC sid
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Similars

Article
PubMed
380n/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))
BDBM50040952
PNG
(CHEMBL3354403)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C25H14F3N5O2S/c26-25(27,28)35-18-11-9-15(10-12-18)23(34)33-20-8-4-3-7-19(20)21-22(33)30-24(32-31-21)36-14-17-6-2-1-5-16(17)13-29/h1-12H,14H2
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 73n/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