BDBM50182975 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-iodo-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL207408

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(I)nc12

InChI Key InChIKey=JKEKHMHZOGHMCB-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50182975   

TargetAdenosine receptor A3(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182975((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-iodo-9H-...)
Affinity DataKi:  4.03nMAssay Description:Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182975((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-iodo-9H-...)
Affinity DataKi:  20.6nMAssay Description:Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182975((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-iodo-9H-...)
Affinity DataKi:  1.96E+3nMAssay Description:Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed