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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 = 'BDBM50219387'   
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))		BDBM50219387
PNG
(3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C33H42N6O6/c1-32(2,3)21-13-19(14-22(25(21)41)33(4,5)6)30(44)34-12-11-18-7-9-20(10-8-18)38-28-24-29(36-16-35-28)39(17-37-24)31-27(43)26(42)23(15-40)45-31/h7-10,13-14,16-17,23,26-27,31,40-43H,11-12,15H2,1-6H3,(H,34,44)(H,35,36,38)/t23-,26-,27-,31-/m1/s1
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Similars
Article
PubMed
 84n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor

Bioorg Med Chem Lett 17: 5437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.035
BindingDB Entry DOI: 10.7270/Q2VX0G7M
More data for this
Ligand-Target Pair