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BDBM50402904 CHEMBL2204907

SMILES: FC1(F)CCN(CC1)C(=O)c1c(NC(=O)CN2CCCC2)sc2CCCCc12

InChI Key: InChIKey=JURGDYPCLIOPQI-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 = 50402904   
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))
BDBM50402904
PNG
(CHEMBL2204907)
Show SMILES FC1(F)CCN(CC1)C(=O)c1c(NC(=O)CN2CCCC2)sc2CCCCc12
Show InChI InChI=1S/C20H27F2N3O2S/c21-20(22)7-11-25(12-8-20)19(27)17-14-5-1-2-6-15(14)28-18(17)23-16(26)13-24-9-3-4-10-24/h1-13H2,(H,23,26)
PDB

NCI pathway
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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))
BDBM50402904
PNG
(CHEMBL2204907)
Show SMILES FC1(F)CCN(CC1)C(=O)c1c(NC(=O)CN2CCCC2)sc2CCCCc12
Show InChI InChI=1S/C20H27F2N3O2S/c21-20(22)7-11-25(12-8-20)19(27)17-14-5-1-2-6-15(14)28-18(17)23-16(26)13-24-9-3-4-10-24/h1-13H2,(H,23,26)
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 209n/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