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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 = 'BDBM50402905'   
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))
BDBM50402905
PNG
(CHEMBL2204906)
Show SMILES FC1(F)CCN(CC1)C(=O)c1c(NC(=O)CN2CCCCC2)sc2CCCCc12
Show InChI InChI=1S/C21H29F2N3O2S/c22-21(23)8-12-26(13-9-21)20(28)18-15-6-2-3-7-16(15)29-19(18)24-17(27)14-25-10-4-1-5-11-25/h1-14H2,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.22E+3n/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