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SMILES: CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1

InChI Key: InChIKey=WPWHFIRDIAUGSU-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 = 210605   
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))
BDBM210605
PNG
(US9290451, 296)
Show SMILES CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1
Show InChI InChI=1S/C18H23N5O3/c1-18(2,16-21-17(19)26-23-16)22-14(24)13-8-7-12(11-5-6-11)15(20-13)25-9-10-3-4-10/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,24)(H2,19,21,23)
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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM210605
PNG
(US9290451, 296)
Show SMILES CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1
Show InChI InChI=1S/C18H23N5O3/c1-18(2,16-21-17(19)26-23-16)22-14(24)13-8-7-12(11-5-6-11)15(20-13)25-9-10-3-4-10/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,24)(H2,19,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60.8n/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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair