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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50392581'   
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))
BDBM50392581
PNG
(CHEMBL2152832)
Show SMILES Fc1ccc(cc1)-n1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C27H24FN3O2S/c28-19-9-11-20(12-10-19)31-18-24(27(33)29-30-15-5-2-6-16-30)26(32)23-14-13-22(17-25(23)31)34-21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,29,33)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair