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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 = 'BDBM50325879'   
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))
BDBM50325879
PNG
(CHEMBL1224370 | N-(3-fluorobenzyl)-1-((2'-methoxyb...)
Show SMILES COc1ccccc1-c1cccc(Cn2cnc3ccc(cc23)C(=O)NCc2cccc(F)c2)c1
Show InChI InChI=1S/C29H24FN3O2/c1-35-28-11-3-2-10-25(28)22-8-4-7-21(14-22)18-33-19-32-26-13-12-23(16-27(26)33)29(34)31-17-20-6-5-9-24(30)15-20/h2-16,19H,17-18H2,1H3,(H,31,34)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair