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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 = 'BDBM50202519'   
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))
BDBM50202519
PNG
(CHEMBL3909238)
Show SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C22H29NO3S/c1-2-26-20(24)18-16-5-3-4-6-17(16)27-19(18)23-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h13-15H,2-12H2,1H3,(H,23,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202519
PNG
(CHEMBL3909238)
Show SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C22H29NO3S/c1-2-26-20(24)18-16-5-3-4-6-17(16)27-19(18)23-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h13-15H,2-12H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 475n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as reduction in NKH-477-induced intracellular cAMP levels after 30 mins in ...


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair