BDBM333221 3-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydrothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino)methyl)benzonitrile::US10196396, Compound 16

SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(c3)C#N)nccn12

InChI Key InChIKey=NNQYQSKJBOBLOU-MGPQQGTHSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 333221   

TargetAdenosine receptor A3(Homo sapiens (Human))
Handok

US Patent
LigandPNGBDBM333221(3-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydrothiophen...)
Affinity DataKi:  55nMAssay Description:HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22° C. with 0.15...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A3(Homo sapiens (Human))
Handok

US Patent
LigandPNGBDBM333221(3-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydrothiophen...)
Affinity DataIC50: <10nMAssay Description:HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22° C. with 0.15...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent