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BDBM50041431 CHEMBL3357367

SMILES: CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C1CN(C1)C(N)=O

InChI Key: InChIKey=NAZUFIZPNVHKBW-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 = 50041431   
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))
BDBM50041431
PNG
(CHEMBL3357367)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H28N4O3S/c1-20(2,3)9-18-22-16-8-14(6-7-17(16)24(18)10-13-4-5-13)28(26,27)15-11-23(12-15)19(21)25/h6-8,13,15H,4-5,9-12H2,1-3H3,(H2,21,25)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20n/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))
BDBM50041431
PNG
(CHEMBL3357367)
Show SMILES CC(C)(C)Cc1nc2cc(ccc2n1CC1CC1)S(=O)(=O)C1CN(C1)C(N)=O
Show InChI InChI=1S/C20H28N4O3S/c1-20(2,3)9-18-22-16-8-14(6-7-17(16)24(18)10-13-4-5-13)28(26,27)15-11-23(12-15)19(21)25/h6-8,13,15H,4-5,9-12H2,1-3H3,(H2,21,25)
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 2.80E+3n/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