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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 = 'BDBM242504'   
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))
BDBM242504
PNG
(US9422235, 87)
Show SMILES FC(F)(F)c1cc(NC2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
23 -44.3 37n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242504
PNG
(US9422235, 87)
Show SMILES FC(F)(F)c1cc(NC2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
33 -43.4 78n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair