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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 = 'BDBM50417782'   
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))		BDBM50417782
PNG
(CHEMBL1644692)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H20N8O3/c1-2-7-29-10-16-18(27-29)25-21(30-20(16)24-19(28-30)17-4-3-8-33-17)26-22(31)23-15-6-5-13-11-32-12-14(13)9-15/h3-6,8-10H,2,7,11-12H2,1H3,(H2,23,25,26,27,31)
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Similars
Article
PubMed
 302n/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