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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50006447'   
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))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630 | US1108...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
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PC cid
PC sid
UniChem
n/an/a 1.50E+5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630 | US1108...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.50E+5n/an/an/an/a


TBA

Assay Description
CHO cells expressing human CB1 R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25Q508W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630 | US1108...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630 | US1108...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.50E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...


US Patent US10112934 (2018)


BindingDB Entry DOI: 10.7270/Q2F191RP
More data for this
Ligand-Target Pair