BDBM50219389 3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-6-ylamino)hexyl)-4-hydroxybenzamide::CHEMBL251708

SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=WILCPLUIPOFNDM-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 = 50219389   

TargetAdenosine receptor A3(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219389(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Affinity DataKi:  14nMAssay Description:Binding affinity to adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219389(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Affinity DataKi:  40nMAssay Description:Binding affinity to adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219389(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to adenosine A2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219389(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed