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SMILES: FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1CCS(=O)(=O)C1

InChI Key: InChIKey=VVZZGRLNJXCLEN-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 = 210601   
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))
BDBM210601
PNG
(US9290451, 292)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C17H21F2N3O4S/c18-17(19)9-22(10-17)14-4-3-13(21-16(14)26-7-11-1-2-11)15(23)20-12-5-6-27(24,25)8-12/h3-4,11-12H,1-2,5-10H2,(H,20,23)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM210601
PNG
(US9290451, 292)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C17H21F2N3O4S/c18-17(19)9-22(10-17)14-4-3-13(21-16(14)26-7-11-1-2-11)15(23)20-12-5-6-27(24,25)8-12/h3-4,11-12H,1-2,5-10H2,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 874n/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