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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 = 'BDBM50375484'   
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))
BDBM50375484
PNG
(CHEMBL409126)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)23-19-12-16(15-9-10-17-18(11-15)27-13-26-17)22-21(24-19)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
53.9n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair