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BDBM135893 US8859596, 181

SMILES: CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C

InChI Key: InChIKey=FMRRTKDSODWWKV-ZXVVBBHZSA-N

Data: 2 KI

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 = 135893   
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


(Homo sapiens (Human))
BDBM135893
PNG
(US8859596, 181)
Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+
PDB

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KEGG

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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
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM135893
PNG
(US8859596, 181)
Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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