BDBM50182974 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((S)-3-hydroxyoct-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL376968

SMILES CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1

InChI Key InChIKey=PWUXIWBJRPNBHD-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50182974   

TargetAdenosine receptor A3(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182974((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((S)-3-h...)
Affinity DataKi:  0.542nMAssay 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
LigandPNGBDBM50182974((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((S)-3-h...)
Affinity DataKi:  3.12nMAssay 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
LigandPNGBDBM50182974((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((S)-3-h...)
Affinity DataKi:  467nMAssay 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
TargetAdenosine receptor A2b(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182974((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((S)-3-h...)
Affinity DataKi:  8.47E+3nMAssay Description:Displacement of [125I]ABOPX from human adenosine A2B receptor in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed