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BDBM50429845 CHEMBL2338180

SMILES: O=C(N1CCCCc2ccccc12)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=PHDZLFSZSWZIQD-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 = 50429845   
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


(MOUSE)
BDBM50429845
PNG
(CHEMBL2338180)
Show SMILES O=C(N1CCCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C21H27NO/c23-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-8-4-3-6-18-5-1-2-7-19(18)22/h1-2,5,7,15-17H,3-4,6,8-14H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429845
PNG
(CHEMBL2338180)
Show SMILES O=C(N1CCCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C21H27NO/c23-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-8-4-3-6-18-5-1-2-7-19(18)22/h1-2,5,7,15-17H,3-4,6,8-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair