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SMILES: O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1

InChI Key: InChIKey=NDALETICPCHNKS-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 = 50424484   
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))
BDBM50424484
PNG
(CHEMBL2316399)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424484
PNG
(CHEMBL2316399)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair