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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 = 'BDBM50423205'   
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))
BDBM50423205
PNG
(CHEMBL245878)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C21H20N2O5S/c1-15-7-8-17(14-19(15)29(25,26)23-10-12-27-13-11-23)21(24)28-18-6-2-4-16-5-3-9-22-20(16)18/h2-9,14H,10-13H2,1H3
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/a 1.30n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR
More data for this
Ligand-Target Pair