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BDBM50006449 CHEMBL3234675

SMILES: CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C1)C(N)=O

InChI Key: InChIKey=XMJJERMECHLDOH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50006449   
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))
BDBM50006449
PNG
(CHEMBL3234675)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H31N5O3S/c1-20(2,3)11-18-22-16-10-14(6-7-17(16)25(18)9-8-23(4)5)29(27,28)15-12-24(13-15)19(21)26/h6-7,10,15H,8-9,11-13H2,1-5H3,(H2,21,26)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO-K1 cells assessed as cAMP change


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006449
PNG
(CHEMBL3234675)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H31N5O3S/c1-20(2,3)11-18-22-16-10-14(6-7-17(16)25(18)9-8-23(4)5)29(27,28)15-12-24(13-15)19(21)26/h6-7,10,15H,8-9,11-13H2,1-5H3,(H2,21,26)
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n/an/an/an/a 4.80n/an/an/an/a



RaQualia Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


Bioorg Med Chem Lett 25: 236-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.062
BindingDB Entry DOI: 10.7270/Q2GM88XM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006449
PNG
(CHEMBL3234675)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H31N5O3S/c1-20(2,3)11-18-22-16-10-14(6-7-17(16)25(18)9-8-23(4)5)29(27,28)15-12-24(13-15)19(21)26/h6-7,10,15H,8-9,11-13H2,1-5H3,(H2,21,26)
PDB

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PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



RaQualia Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


Bioorg Med Chem Lett 25: 236-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.062
BindingDB Entry DOI: 10.7270/Q2GM88XM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006449
PNG
(CHEMBL3234675)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H31N5O3S/c1-20(2,3)11-18-22-16-10-14(6-7-17(16)25(18)9-8-23(4)5)29(27,28)15-12-24(13-15)19(21)26/h6-7,10,15H,8-9,11-13H2,1-5H3,(H2,21,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO-K1 cells assessed as cAMP change


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair