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SMILES: [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1

InChI Key:

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 5 hits for monomerid = 50586724   
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))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation spectrometry ana...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
PDB

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KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 320n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as beta-arrestin 2 recruitment incubated for 90 mins by PathH...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of CB1 receptor in MF1 mouse vas deferens assessed as inhibition of AEA-induced electrically evoked vas deferens contr...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/an/an/an/a


TBA

Assay Description
Agonist activity at human CB1 receptor expressed in CHO cell membranes assessed as increase in [35S]GTPgammaS binding incubated for 30 mins by liquid...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 87n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP production incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair