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BDBM50428185 CHEMBL2336538

SMILES: CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=NRQZKQDCFMTUQO-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50428185   
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))
BDBM50428185
PNG
(CHEMBL2336538)
Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h6-18H,4-5,19H2,1-3H3
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Article
PubMed
5.5n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50428185
PNG
(CHEMBL2336538)
Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h6-18H,4-5,19H2,1-3H3
PDB

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PC sid
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Article
PubMed
81n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50428185
PNG
(CHEMBL2336538)
Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h6-18H,4-5,19H2,1-3H3
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 8.20n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair