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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 = 'BDBM50370448'   
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)		BDBM50370448
PNG
(CHEMBL1791443)
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 |r|
Show InChI InChI=1S/C23H27N9O8S/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/h4-10,16-18,21-22,24,33-35H,3H2,1-2H3,(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,21?,22+/m0/s1
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Similars
Article
PubMed
 155n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair