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BDBM50042891 CHEMBL3354535

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1

InChI Key: InChIKey=NUUWVBTXTPYRQK-GGYSOQFKNA-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 = 50042891   
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))
BDBM50042891
PNG
(CHEMBL3354535)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1 |r|
Show InChI InChI=1/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/s2
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042891
PNG
(CHEMBL3354535)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1 |r|
Show InChI InChI=1/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/s2
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 600n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair