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BDBM210505 US9290451, 217

SMILES: FC(F)(F)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccnc1

InChI Key: InChIKey=BCZCFVPVLYJKQO-KRWDZBQOSA-N

Data: 2 EC50

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 = 210505   
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 1


(Homo sapiens (Human))
BDBM210505
PNG
(US9290451, 217)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccnc1 |r|
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)17(14-2-1-9-24-10-14)26-18(27)16-8-7-15(13-5-6-13)19(25-16)28-11-12-3-4-12/h1-2,7-10,12-13,17H,3-6,11H2,(H,26,27)/t17-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM210505
PNG
(US9290451, 217)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccnc1 |r|
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)17(14-2-1-9-24-10-14)26-18(27)16-8-7-15(13-5-6-13)19(25-16)28-11-12-3-4-12/h1-2,7-10,12-13,17H,3-6,11H2,(H,26,27)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 41.1n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair