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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 = 'BDBM50417779'   
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))		BDBM50417779
PNG
(CHEMBL1644693)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H22N8O3/c1-2-3-8-30-11-17-19(28-30)26-22(31-21(17)25-20(29-31)18-5-4-9-34-18)27-23(32)24-16-7-6-14-12-33-13-15(14)10-16/h4-7,9-11H,2-3,8,12-13H2,1H3,(H2,24,26,27,28,32)
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Similars
Article
PubMed
 501n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins

Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair