BDBM50185941 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3-(aminomethyl)-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide::CHEMBL382812

SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key InChIKey=GYDFJIXNQHSXKC-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50185941   

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

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  110nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  120nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  120nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  137nMAssay Description:Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  185nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50185941((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Affinity DataKi:  570nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor Q167E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed