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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 = 'BDBM50399126'   
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))
BDBM50399126
PNG
(CHEMBL2179768)
Show SMILES FC(F)(F)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)20-13-11-19(12-14-20)23(28-21(30)15-17-7-3-1-4-8-17)29-22(31)16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,28,30)(H,29,31)
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PC cid
PC sid
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Similars

Article
PubMed
596n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr


J Med Chem 55: 9973-87 (2012)


Article DOI: 10.1021/jm301212u
BindingDB Entry DOI: 10.7270/Q22808R5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399126
PNG
(CHEMBL2179768)
Show SMILES FC(F)(F)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)20-13-11-19(12-14-20)23(28-21(30)15-17-7-3-1-4-8-17)29-22(31)16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,28,30)(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
596n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr


J Med Chem 55: 9973-87 (2012)


Article DOI: 10.1021/jm301212u
BindingDB Entry DOI: 10.7270/Q22808R5
More data for this
Ligand-Target Pair