BDBM50134814 (2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-4-(aminomethyl)-5-(hydroxymethyl)-tetrahydrofuran-3-ol::(2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol::CHEMBL144521

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

InChI Key InChIKey=WNYCSKXAMBKIQP-UHFFFAOYSA-N

Data  13 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 13 hits for monomerid = 50134814   

TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  6.5nMAssay Description:Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  56nMAssay Description:Binding affinity against H278E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  58nMAssay Description:Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  59nMAssay Description:Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  64nMAssay Description:Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  67nMAssay Description:Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  79nMAssay Description:Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  610nMAssay 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
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  850nMAssay 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
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  9.50E+3nMAssay 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
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  1.00E+4nMAssay 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
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi: >1.00E+4nMAssay 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
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50134814((2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(...)
Affinity DataKi:  1.07E+4nMAssay 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