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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 = 'BDBM35867'   
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))
BDBM35867
PNG
(5,6-diaryl-pyrazine-2-amide derivative, 2a | 5-(4-...)
Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)27-19(13-26-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/a7.430



AstraZeneca



Assay Description
A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...


Bioorg Med Chem 15: 4077-84 (2007)


Article DOI: 10.1016/j.bmc.2007.03.075
BindingDB Entry DOI: 10.7270/Q2028PW8
More data for this
Ligand-Target Pair