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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 = 'BDBM50354135'   
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))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair