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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 = 'BDBM133277'   
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))
BDBM133277
PNG
(US8846730, 24)
Show SMILES CN1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3.40 -49.1n/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))
BDBM133277
PNG
(US8846730, 24)
Show SMILES CN1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.60 -48.4n/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