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SMILES: CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=DGMHOJDWFLMYCK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50427422   
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))
BDBM50427422
PNG
(CHEMBL2326288)
Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H27ClN2O3S/c1-4-26(5-2)21-10-6-19(7-11-21)18-27(22-12-8-20(25)9-13-22)31(28,29)24-16-14-23(30-3)15-17-24/h6-17H,4-5,18H2,1-3H3
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Article
PubMed
14n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50427422
PNG
(CHEMBL2326288)
Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H27ClN2O3S/c1-4-26(5-2)21-10-6-19(7-11-21)18-27(22-12-8-20(25)9-13-22)31(28,29)24-16-14-23(30-3)15-17-24/h6-17H,4-5,18H2,1-3H3
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50427422
PNG
(CHEMBL2326288)
Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H27ClN2O3S/c1-4-26(5-2)21-10-6-19(7-11-21)18-27(22-12-8-20(25)9-13-22)31(28,29)24-16-14-23(30-3)15-17-24/h6-17H,4-5,18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 16n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP production after 45 mins in pres...


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair