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BDBM50040966 CHEMBL3354936

SMILES: [H][C@]12C[C@@]1([H])c1c(C2)c(nn1C(C)C)C(=O)NC(C)(C)c1ccccc1

InChI Key: InChIKey=IZJDOVSLNZNNNM-UKRRQHHQSA-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 = 50040966   
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))
BDBM50040966
PNG
(CHEMBL3354936)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1C(C)C)C(=O)NC(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N3O/c1-12(2)23-18-15-10-13(15)11-16(18)17(22-23)19(24)21-20(3,4)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)/t13-,15-/m1/s1
PDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040966
PNG
(CHEMBL3354936)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1C(C)C)C(=O)NC(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N3O/c1-12(2)23-18-15-10-13(15)11-16(18)17(22-23)19(24)21-20(3,4)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)/t13-,15-/m1/s1
PDB

NCI pathway
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 51n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair