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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 = 'BDBM133284'   
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


(Rattus norvegicus (Rat))
BDBM133284
PNG
(US8846730, 37)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cnco2)C(F)(F)F)s1
Show InChI InChI=1S/C24H26F3N3O4S/c1-23(2,3)20-12-30(11-16-5-4-8-32-16)22(35-20)29-21(31)18-9-15(24(25,26)27)6-7-19(18)33-13-17-10-28-14-34-17/h6-7,9-10,12,14,16H,4-5,8,11,13H2,1-3H3/b29-22-/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
9 -46.7n/an/an/an/an/a7.430



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)


BindingDB Entry DOI: 10.7270/Q2028Q6Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM133284
PNG
(US8846730, 37)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cnco2)C(F)(F)F)s1
Show InChI InChI=1S/C24H26F3N3O4S/c1-23(2,3)20-12-30(11-16-5-4-8-32-16)22(35-20)29-21(31)18-9-15(24(25,26)27)6-7-19(18)33-13-17-10-28-14-34-17/h6-7,9-10,12,14,16H,4-5,8,11,13H2,1-3H3/b29-22-/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
26 -44.0n/an/an/an/an/a7.430



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)


BindingDB Entry DOI: 10.7270/Q2028Q6Q
More data for this
Ligand-Target Pair