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BDBM50041443 CHEMBL3357389

SMILES: CCN1CC(C1)S(=O)(=O)c1ccc2n(CCN(C)C)c(CC(C)(C)C)nc2c1

InChI Key: InChIKey=GPTAFFHSWDOBMS-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 = 50041443   
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))
BDBM50041443
PNG
(CHEMBL3357389)
Show SMILES CCN1CC(C1)S(=O)(=O)c1ccc2n(CCN(C)C)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H34N4O2S/c1-7-24-14-17(15-24)28(26,27)16-8-9-19-18(12-16)22-20(13-21(2,3)4)25(19)11-10-23(5)6/h8-9,12,17H,7,10-11,13-15H2,1-6H3
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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/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))
BDBM50041443
PNG
(CHEMBL3357389)
Show SMILES CCN1CC(C1)S(=O)(=O)c1ccc2n(CCN(C)C)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H34N4O2S/c1-7-24-14-17(15-24)28(26,27)16-8-9-19-18(12-16)22-20(13-21(2,3)4)25(19)11-10-23(5)6/h8-9,12,17H,7,10-11,13-15H2,1-6H3
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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