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SMILES: CNC(=O)[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC)ncnc12

InChI Key: InChIKey=GZCOXDOPZBCNKO-OOZYFLPDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50182317   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182317
PNG
((2S,3S,5R)-3-hydroxy-N-methyl-5-(6-(methylamino)-9...)
Show SMILES CNC(=O)[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O3/c1-13-10-8-11(16-4-15-10)18(5-17-8)7-3-6(19)9(21-7)12(20)14-2/h4-7,9,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,9-/m0/s1
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Similars
Article
PubMed
 87n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair