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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50470460'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50470460
PNG
(CHEMBL4279509)
Show SMILES CNc1ncc(C(=O)NCc2ccc(F)cc2)c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15FN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method


Eur J Med Chem 157: 837-851 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.042
BindingDB Entry DOI: 10.7270/Q2H41V45
More data for this
Ligand-Target Pair