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BDBM50041436 CHEMBL3357382

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

InChI Key: InChIKey=KAYXDULUFFZBHW-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 = 50041436   
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))
BDBM50041436
PNG
(CHEMBL3357382)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C)C1
Show InChI InChI=1S/C20H32N4O2S/c1-20(2,3)12-19-21-17-11-15(27(25,26)16-13-23(6)14-16)7-8-18(17)24(19)10-9-22(4)5/h7-8,11,16H,9-10,12-14H2,1-6H3
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/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))
BDBM50041436
PNG
(CHEMBL3357382)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(C)C1
Show InChI InChI=1S/C20H32N4O2S/c1-20(2,3)12-19-21-17-11-15(27(25,26)16-13-23(6)14-16)7-8-18(17)24(19)10-9-22(4)5/h7-8,11,16H,9-10,12-14H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60E+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