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BDBM50402918 CHEMBL2205597

SMILES: COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12

InChI Key: InChIKey=JMZOUTOPTOALNY-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 = 50402918   
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 2


(Homo sapiens (Human))
BDBM50402918
PNG
(CHEMBL2205597)
Show SMILES COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12
Show InChI InChI=1S/C18H28N2O3S/c1-18(2,3)11-14(21)20-17-15(16(22)19-9-10-23-4)12-7-5-6-8-13(12)24-17/h5-11H2,1-4H3,(H,19,22)(H,20,21)
PDB

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KEGG

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UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 23n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50402918
PNG
(CHEMBL2205597)
Show SMILES COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12
Show InChI InChI=1S/C18H28N2O3S/c1-18(2,3)11-14(21)20-17-15(16(22)19-9-10-23-4)12-7-5-6-8-13(12)24-17/h5-11H2,1-4H3,(H,19,22)(H,20,21)
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 1.91E+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