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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 = 'BDBM50064630'   
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))
BDBM50064630
PNG
(CHEMBL3403738)
Show SMILES Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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Similars

Article
PubMed
3.87E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair