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BDBM50402885 CHEMBL2205604

SMILES: CC(C)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1

InChI Key: InChIKey=LSPWEIAKXAXDEV-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 = 50402885   
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))
BDBM50402885
PNG
(CHEMBL2205604)
Show SMILES CC(C)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)15-5-3-4-6-16(15)20(25)23-21-19(17-7-10-28-13-18(17)29-21)22(26)24-8-11-27-12-9-24/h3-6,14H,7-13H2,1-2H3,(H,23,25)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/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))
BDBM50402885
PNG
(CHEMBL2205604)
Show SMILES CC(C)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)15-5-3-4-6-16(15)20(25)23-21-19(17-7-10-28-13-18(17)29-21)22(26)24-8-11-27-12-9-24/h3-6,14H,7-13H2,1-2H3,(H,23,25)
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