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BDBM50006263 CHEMBL3234703

SMILES: COc1ccc(cc1)-c1nnc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)[nH]1

InChI Key: InChIKey=JXZKCVGVXYCLNY-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006263   
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))
BDBM50006263
PNG
(CHEMBL3234703)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)[nH]1
Show InChI InChI=1S/C18H24N4O5S/c1-18(2,28(24,25)14-8-10-27-11-9-14)16(23)20-17-19-15(21-22-17)12-4-6-13(26-3)7-5-12/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,22,23)
PDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006263
PNG
(CHEMBL3234703)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)[nH]1
Show InChI InChI=1S/C18H24N4O5S/c1-18(2,28(24,25)14-8-10-27-11-9-14)16(23)20-17-19-15(21-22-17)12-4-6-13(26-3)7-5-12/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.660n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair