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BDBM50402873 CHEMBL2205618

SMILES: FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)NCC1CC1

InChI Key: InChIKey=FOMLKVUZJGVNAW-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 = 50402873   
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))
BDBM50402873
PNG
(CHEMBL2205618)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)NCC1CC1
Show InChI InChI=1S/C20H19F3N2O4S/c21-20(22,23)29-14-4-2-1-3-12(14)17(26)25-19-16(18(27)24-9-11-5-6-11)13-7-8-28-10-15(13)30-19/h1-4,11H,5-10H2,(H,24,27)(H,25,26)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 519n/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))
BDBM50402873
PNG
(CHEMBL2205618)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)NCC1CC1
Show InChI InChI=1S/C20H19F3N2O4S/c21-20(22,23)29-14-4-2-1-3-12(14)17(26)25-19-16(18(27)24-9-11-5-6-11)13-7-8-28-10-15(13)30-19/h1-4,11H,5-10H2,(H,24,27)(H,25,26)
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 35n/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