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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 = 'BDBM50292321'   
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))		BDBM50292321
PNG
(CHEMBL249677 | N6-[6-[1,1,3,3-tetramethylisoindoli...)
Show SMILES CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:4|
Show InChI InChI=1S/C29H40N7O6/c1-28(2)18-10-9-17(13-19(18)29(3,4)36(28)41)26(40)31-12-8-6-5-7-11-30-24-21-25(33-15-32-24)35(16-34-21)27-23(39)22(38)20(14-37)42-27/h9-10,13,15-16,20,22-23,27,37-39H,5-8,11-12,14H2,1-4H3,(H,31,40)(H,30,32,33)/t20-,22-,23-,27-/m1/s1
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Similars
Article
PubMed
 89n/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