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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 = 'BDBM50182976'   
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))		BDBM50182976
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C23H25N7O7/c1-3-24-20-16-21(29(11-26-16)23-18(33)17(32)19(37-23)22(34)25-4-2)28-15(27-20)10-9-14(31)12-7-5-6-8-13(12)30(35)36/h5-8,11,14,17-19,23,31-33H,3-4H2,1-2H3,(H,25,34)(H,24,27,28)/t14?,17-,18+,19-,23+/m0/s1
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Similars
Article
PubMed
 1.29n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells

Bioorg Med Chem Lett 16: 2416-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.110
BindingDB Entry DOI: 10.7270/Q2833STJ
More data for this
Ligand-Target Pair