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SMILES: CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F

InChI Key: InChIKey=PPTFZCCTFLOXTB-DIBXZPPDSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135864   
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))
BDBM135864
PNG
(US8859596, 151)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O2S/c1-20(2,3)18-28-30(12-8-7-11-26)19(33-18)27-17(31)15-13-14(22(23,24)25)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,12H2,1-6H3/b27-19-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.20n/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))
BDBM135864
PNG
(US8859596, 151)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O2S/c1-20(2,3)18-28-30(12-8-7-11-26)19(33-18)27-17(31)15-13-14(22(23,24)25)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,12H2,1-6H3/b27-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.30 -11.6n/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