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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 = 'BDBM50408224'   
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))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS binding assay


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair