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BDBM50042599 CHEMBL3353865

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1

InChI Key: InChIKey=QYVUDBXZRBTYBA-ZDUSSCGKSA-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 = 50042599   
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))
BDBM50042599
PNG
(CHEMBL3353865)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1 |r|
Show InChI InChI=1S/C17H27N3O2/c1-17(2,3)14-11-15(19-22-14)18-16(21)13-9-6-10-20(13)12-7-4-5-8-12/h11-13H,4-10H2,1-3H3,(H,18,19,21)/t13-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042599
PNG
(CHEMBL3353865)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1 |r|
Show InChI InChI=1S/C17H27N3O2/c1-17(2,3)14-11-15(19-22-14)18-16(21)13-9-6-10-20(13)12-7-4-5-8-12/h11-13H,4-10H2,1-3H3,(H,18,19,21)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair