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SMILES: CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C

InChI Key: InChIKey=OHSGYQOBHOAKCX-KHTOFDOCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135888   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM135888
PNG
(US8859596, 176)
Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C |w:19.20|
Show InChI InChI=1S/C22H28F3N5O4S/c1-6-8-11-30-20(35-19(28-30)21(3,4)5)27-17(31)14-12-13(22(23,24)25)9-10-16(14)34-29-15(7-2)18(32)33-26/h9-10,12H,6-8,11,26H2,1-5H3/b27-20+,29-15+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.70n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM135888
PNG
(US8859596, 176)
Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C |w:19.20|
Show InChI InChI=1S/C22H28F3N5O4S/c1-6-8-11-30-20(35-19(28-30)21(3,4)5)27-17(31)14-12-13(22(23,24)25)9-10-16(14)34-29-15(7-2)18(32)33-26/h9-10,12H,6-8,11,26H2,1-5H3/b27-20+,29-15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6.10 -11.4n/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 US8859596 (2014)


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