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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 = 'BDBM50402906'   
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))
BDBM50402906
PNG
(CHEMBL2204905)
Show SMILES CC(C)(C)CC(=O)Nc1sc2CCCCc2c1C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H28F2N2O2S/c1-19(2,3)12-15(25)23-17-16(13-6-4-5-7-14(13)27-17)18(26)24-10-8-20(21,22)9-11-24/h4-12H2,1-3H3,(H,23,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 113n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair