BDBM50219387 3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-phenyl}-ethyl)-4-hydroxy-benzamide::CHEMBL398669

SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

InChI Key InChIKey=GCZXLSYFHULECQ-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50219387   

TargetAdenosine receptor A1(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219387(3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-di...)
Affinity DataKi:  32nMAssay 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 A3(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219387(3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-di...)
Affinity DataKi:  84nMAssay 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 A2b(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50219387(3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-di...)
Affinity DataKi:  8.58E+3nMAssay 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
LigandPNGBDBM50219387(3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-di...)
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