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SMILES: O=C(NC1(COC1)c1nccs1)c1cc(OCC2CC2)c(cn1)C1CC1

InChI Key: InChIKey=LHBFQYFMIYJROX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 240327   
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))
BDBM240327
PNG
(US9409866, 42)
Show SMILES O=C(NC1(COC1)c1nccs1)c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H21N3O3S/c23-17(22-19(10-24-11-19)18-20-5-6-26-18)15-7-16(25-9-12-1-2-12)14(8-21-15)13-3-4-13/h5-8,12-13H,1-4,9-11H2,(H,22,23)
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))
BDBM240327
PNG
(US9409866, 42)
Show SMILES O=C(NC1(COC1)c1nccs1)c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H21N3O3S/c23-17(22-19(10-24-11-19)18-20-5-6-26-18)15-7-16(25-9-12-1-2-12)14(8-21-15)13-3-4-13/h5-8,12-13H,1-4,9-11H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11.6n/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