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SMILES: CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(C)(C)C

InChI Key: InChIKey=YWZGEGZSNRFLOJ-CQSZACIVSA-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 = 240333   
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))
BDBM240333
PNG
(US9409866, 48)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25)/t14-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 661n/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))
BDBM240333
PNG
(US9409866, 48)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.57n/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