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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50585683'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50585683
PNG
(CHEMBL5071344)
Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(CC1)C(F)(F)F)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 |c:22|
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01836
BindingDB Entry DOI: 10.7270/Q2154MZ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50585683
PNG
(CHEMBL5071344)
Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(CC1)C(F)(F)F)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 |c:22|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human CB1R expressed in CHO-K1 cell membranes assessed as stimulation of [35S]-GTPgammaS binding by liquid scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01836
BindingDB Entry DOI: 10.7270/Q2154MZ5
More data for this
Ligand-Target Pair