BDBM50205726 2-{[4-(cyanomethyl)phenyl]ethynyl}-N6-methoxyadenosine::CHEMBL220335

SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(CC#N)cc1

InChI Key InChIKey=VVTWSQHPMAGHEJ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205726   

TargetAdenosine receptor A3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50205726(2-{[4-(cyanomethyl)phenyl]ethynyl}-N6-methoxyadeno...)
Affinity DataKi:  3.70nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50205726(2-{[4-(cyanomethyl)phenyl]ethynyl}-N6-methoxyadeno...)
Affinity DataKi:  766nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50205726(2-{[4-(cyanomethyl)phenyl]ethynyl}-N6-methoxyadeno...)
Affinity DataKi:  3.08E+3nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed