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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 = 'BDBM50179029'   
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


(Rattus norvegicus)		BDBM50179029
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(5-methyl-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,22,33-34H,3H2,1-2H3,(H,24,35)(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,22+/m0/s1
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Similars
Article
PubMed
 155n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair