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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 = 'BDBM50416479'   
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))
BDBM50416479
PNG
(CHEMBL1209711)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-15-12-24(11-10-23-15)22(26)18-13-25-19(16-6-3-2-4-7-16)14-27-20-9-5-8-17(18)21(20)25/h5,8-9,13,15-16,19,23H,2-4,6-7,10-12,14H2,1H3/t15-,19-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/an/an/a 501n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
BindingDB Entry DOI: 10.7270/Q21R6RS6
More data for this
Ligand-Target Pair