BDBM50339076 (2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL1688378

SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=VQABXXYIDMPKKB-UHFFFAOYSA-N

Data  4 KI  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50339076   

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataEC50:  12nMAssay Description:Agonist activity at human adenosine A2A receptor expressed in CHO cells by cyclic AMP functional assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells by cyclic AMP functional assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataKi:  7.19nMAssay Description:Binding affinity to A2A adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataKi:  7.19nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataKi:  7.19nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50339076((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Affinity DataKi:  11.8nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed