BDBM50300274 (1R,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL567412

SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key InChIKey=FKPGTHMEASTRAW-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50300274   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50300274((1R,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-9H-purin...)
Affinity DataKi:  4.90nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50300274((1R,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-9H-purin...)
Affinity DataKi:  839nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50300274((1R,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-9H-purin...)
Affinity DataKi:  4.52E+3nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed