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BDBM221134 US9303012, 60

SMILES: NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

InChI Key: InChIKey=JWQZVCOGWUMBNK-ZDUSSCGKSA-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 = 221134   
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))
BDBM221134
PNG
(US9303012, 60)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H20F4N4O3/c19-17(20)5-13(14(23)27)26(9-17)16(28)11-3-4-12(25-7-18(21,22)8-25)15(24-11)29-6-10-1-2-10/h3-4,10,13H,1-2,5-9H2,(H2,23,27)/t13-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM221134
PNG
(US9303012, 60)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H20F4N4O3/c19-17(20)5-13(14(23)27)26(9-17)16(28)11-3-4-12(25-7-18(21,22)8-25)15(24-11)29-6-10-1-2-10/h3-4,10,13H,1-2,5-9H2,(H2,23,27)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.08n/an/an/a37



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair