BindingDB logo
myBDB logout

BDBM50402882 CHEMBL2205607

SMILES: FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1

InChI Key: InChIKey=ZWFJVFFJDQLYQI-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 = 50402882   
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))
BDBM50402882
PNG
(CHEMBL2205607)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19F3N2O5S/c21-20(22,23)30-14-4-2-1-3-12(14)17(26)24-18-16(13-5-8-29-11-15(13)31-18)19(27)25-6-9-28-10-7-25/h1-4H,5-11H2,(H,24,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50402882
PNG
(CHEMBL2205607)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19F3N2O5S/c21-20(22,23)30-14-4-2-1-3-12(14)17(26)24-18-16(13-5-8-29-11-15(13)31-18)19(27)25-6-9-28-10-7-25/h1-4H,5-11H2,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 103n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair