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SMILES: OCCC(NC(=O)c1cc(OCC2CC2)c(Cl)cn1)C1CC1

InChI Key: InChIKey=PDPLGIJQHUVTMP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 240304   
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))
BDBM240304
PNG
(US9409866, 19)
Show SMILES OCCC(NC(=O)c1cc(OCC2CC2)c(Cl)cn1)C1CC1
Show InChI InChI=1S/C16H21ClN2O3/c17-12-8-18-14(7-15(12)22-9-10-1-2-10)16(21)19-13(5-6-20)11-3-4-11/h7-8,10-11,13,20H,1-6,9H2,(H,19,21)
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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))
BDBM240304
PNG
(US9409866, 19)
Show SMILES OCCC(NC(=O)c1cc(OCC2CC2)c(Cl)cn1)C1CC1
Show InChI InChI=1S/C16H21ClN2O3/c17-12-8-18-14(7-15(12)22-9-10-1-2-10)16(21)19-13(5-6-20)11-3-4-11/h7-8,10-11,13,20H,1-6,9H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 61.5n/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