BDBM50182961 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3-hydroxy-3-(3-nitrophenyl)prop-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL381972

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=LEVYHWDETTZZKX-PCUSSDDASA-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 = 50182961   

TargetAdenosine receptor A3(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182961((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...)
Affinity DataKi:  3.45nMAssay Description:Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182961((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...)
Affinity DataKi:  11.3nMAssay Description:Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182961((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...)
Affinity DataKi:  401nMAssay Description:Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2b(Human)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50182961((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...)
Affinity DataKi:  1.19E+3nMAssay Description:Displacement of [125I]ABOPX from human adenosine A2B receptor in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed