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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 = 'BDBM135857'   
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))
BDBM135857
PNG
(US8859596, 144)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
0.600 -53.5n/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 US8859596 (2014)


BindingDB Entry DOI: 10.7270/Q2W66JHC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM135857
PNG
(US8859596, 144)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.800n/an/an/an/an/an/a7.4n/a



AbbVie Inc.

US Patent


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


US Patent US8859596 (2014)


BindingDB Entry DOI: 10.7270/Q2W66JHC
More data for this
Ligand-Target Pair