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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 = 'BDBM50416462'   
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))
BDBM50416462
PNG
(CHEMBL1209572)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2C(CCc3cccc1c23)C1CCCCC1
Show InChI InChI=1S/C24H33N3O/c1-2-25-13-15-26(16-14-25)24(28)21-17-27-22(18-7-4-3-5-8-18)12-11-19-9-6-10-20(21)23(19)27/h6,9-10,17-18,22H,2-5,7-8,11-16H2,1H3
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25.1n/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