BindingDB logo
myBDB logout

null

SMILES: CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C

InChI Key: InChIKey=VPIYHYPZGISMSN-MOHJPFBDSA-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 = 135867   
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))
BDBM135867
PNG
(US8859596, 154)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1n/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))
BDBM135867
PNG
(US8859596, 154)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1 -12.5n/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