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BDBM50402911 CHEMBL2204900

SMILES: COC1CN(C1)C(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12

InChI Key: InChIKey=HMLSZWJVJKHFQI-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 = 50402911   
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))
BDBM50402911
PNG
(CHEMBL2204900)
Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-19(2,3)9-15(22)20-17-16(13-7-5-6-8-14(13)25-17)18(23)21-10-12(11-21)24-4/h12H,5-11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 47n/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))
BDBM50402911
PNG
(CHEMBL2204900)
Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-19(2,3)9-15(22)20-17-16(13-7-5-6-8-14(13)25-17)18(23)21-10-12(11-21)24-4/h12H,5-11H2,1-4H3,(H,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.97E+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