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SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)on1

InChI Key: InChIKey=DLNMZBVAUMSCEI-KGLIPLIRSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042696   
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))
BDBM50042696
PNG
(CHEMBL3353877)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)on1 |r|
Show InChI InChI=1S/C18H29N3O4/c1-18(2,3)15-9-16(25-20-15)19-17(23)14-8-13(22)11-21(14)10-12-4-6-24-7-5-12/h9,12-14,22H,4-8,10-11H2,1-3H3,(H,19,23)/t13-,14+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 7n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042696
PNG
(CHEMBL3353877)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)on1 |r|
Show InChI InChI=1S/C18H29N3O4/c1-18(2,3)15-9-16(25-20-15)19-17(23)14-8-13(22)11-21(14)10-12-4-6-24-7-5-12/h9,12-14,22H,4-8,10-11H2,1-3H3,(H,19,23)/t13-,14+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/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