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BDBM240336 US9409866, 51

SMILES: FC(F)(F)COc1cc(ncc1C1CC1)C(=O)NC(c1ccccn1)C(F)(F)F

InChI Key: InChIKey=JNQAIADWINAWLA-UHFFFAOYSA-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 = 240336   
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))
BDBM240336
PNG
(US9409866, 51)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)C(=O)NC(c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O2/c19-17(20,21)9-29-14-7-13(26-8-11(14)10-4-5-10)16(28)27-15(18(22,23)24)12-3-1-2-6-25-12/h1-3,6-8,10,15H,4-5,9H2,(H,27,28)
PDB

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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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240336
PNG
(US9409866, 51)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)C(=O)NC(c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O2/c19-17(20,21)9-29-14-7-13(26-8-11(14)10-4-5-10)16(28)27-15(18(22,23)24)12-3-1-2-6-25-12/h1-3,6-8,10,15H,4-5,9H2,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12.2n/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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair