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SMILES: NC(=O)CC1(COC1)NC(=O)c1ccc(OC(F)(F)F)c(OCC2CC2)n1

InChI Key: InChIKey=LIVVTVZKMBHXDI-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 = 260098   
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))
BDBM260098
PNG
(US9522886, 46)
Show SMILES NC(=O)CC1(COC1)NC(=O)c1ccc(OC(F)(F)F)c(OCC2CC2)n1
Show InChI InChI=1S/C16H18F3N3O5/c17-16(18,19)27-11-4-3-10(21-14(11)26-6-9-1-2-9)13(24)22-15(5-12(20)23)7-25-8-15/h3-4,9H,1-2,5-8H2,(H2,20,23)(H,22,24)
PDB

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UniProtKB/SwissProt

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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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260098
PNG
(US9522886, 46)
Show SMILES NC(=O)CC1(COC1)NC(=O)c1ccc(OC(F)(F)F)c(OCC2CC2)n1
Show InChI InChI=1S/C16H18F3N3O5/c17-16(18,19)27-11-4-3-10(21-14(11)26-6-9-1-2-9)13(24)22-15(5-12(20)23)7-25-8-15/h3-4,9H,1-2,5-8H2,(H2,20,23)(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 31.4n/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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair