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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 = 'BDBM50418023'   
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))
BDBM50418023
PNG
(CHEMBL1682276)
Show SMILES COCC(=O)NCc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C20H23ClN4O4/c1-27-12-17(26)22-9-18-23-20(24-29-18)15-11-25(10-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,11,13H,5-10,12H2,1H3,(H,22,26)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair