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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 = 'BDBM50219389'   
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))		BDBM50219389
PNG
(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1
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Similars
Article
PubMed
 14n/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