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SMILES: CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)cc1

InChI Key: InChIKey=SAKUEOHMONHMLH-UHFFFAOYSA-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 = 50341022   
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))
BDBM50341022
PNG
(CHEMBL1762292 | N-(4-tert-butylphenyl)-4-(tetrahyd...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C22H33N3O3/c1-22(2,3)18-5-7-19(8-6-18)23-21(27)25-12-4-11-24(13-14-25)20(26)17-9-15-28-16-10-17/h5-8,17H,4,9-16H2,1-3H3,(H,23,27)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341022
PNG
(CHEMBL1762292 | N-(4-tert-butylphenyl)-4-(tetrahyd...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C22H33N3O3/c1-22(2,3)18-5-7-19(8-6-18)23-21(27)25-12-4-11-24(13-14-25)20(26)17-9-15-28-16-10-17/h5-8,17H,4,9-16H2,1-3H3,(H,23,27)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 111n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair